5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C24H30N8O — CID 167553208

IUPAC5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCNC1CN(Cc2ccc(Cn3ccc4nc(N)nc(NCc5nocc5C)c43)c(C)c2)C1
InChIInChI=1S/C24H30N8O/c1-15-8-17(10-31-12-19(13-31)26-3)4-5-18(15)11-32-7-6-20-22(32)23(29-24(25)28-20)27-9-21-16(2)14-33-30-21/h4-8,14,19,26H,9-13H2,1-3H3,(H3,25,27,28,29)
InChIKeyDAGCCPCSNWQDDN-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.68
Rot. Bonds8

About 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 167553208) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID167553208
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCNC1CN(Cc2ccc(Cn3ccc4nc(N)nc(NCc5nocc5C)c43)c(C)c2)C1
InChIInChI=1S/C24H30N8O/c1-15-8-17(10-31-12-19(13-31)26-3)4-5-18(15)11-32-7-6-20-22(32)23(29-24(25)28-20)27-9-21-16(2)14-33-30-21/h4-8,14,19,26H,9-13H2,1-3H3,(H3,25,27,28,29)
InChIKeyDAGCCPCSNWQDDN-UHFFFAOYSA-N
XLogP2.68
TPSA110.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-[[4-[[3-(dimethylamino)azetidin-1-yl]methyl]-2-methoxyphenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 155400377
5-[[2-methoxy-4-[(3-piperidin-4-ylazetidin-1-yl)methyl]phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 155400424
5-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 144954877
[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol
CID 126627800
5-[[2-methyl-4-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 126627786
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrazin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335026
(3R)-6-[2-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid
CID 129092804
(2,5-dioxopyrrolidin-1-yl) 5-[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]propylamino]-5-oxopentanoate
CID 129092896
[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol
CID 170252108
5-[[4-(azetidin-1-ylmethyl)-2-methoxyphenyl]methyl]-4-chloropyrrolo[3,2-d]pyrimidin-2-amine
CID 175219968
5-[[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 129099320
5-[[2-methoxy-4-[[3-methyl-3-[1-(methylamino)cyclopropyl]azetidin-1-yl]methyl]phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 155400468

Frequently Asked Questions

What is the IUPAC name of 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 167553208) is 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is CNC1CN(Cc2ccc(Cn3ccc4nc(N)nc(NCc5nocc5C)c43)c(C)c2)C1.
What is the InChIKey of 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is DAGCCPCSNWQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-15-8-17(10-31-12-19(13-31)26-3)4-5-18(15)11-32-7-6-20-22(32)23(29-24(25)28-20)27-9-21-16(2)14-33-30-21/h4-8,14,19,26H,9-13H2,1-3H3,(H3,25,27,28,29).
What are the key properties of 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 446.56 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methyl-4-[[3-(methylamino)azetidin-1-yl]methyl]phenyl]methyl]-4-N-[(4-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 167553208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).