2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

C24H33N9O2 — CID 118484689

IUPAC2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(N)nc2ccn(Cc3cc(C(C)(C)c4nn[nH]n4)ccc3OC)c12
InChIInChI=1S/C24H33N9O2/c1-5-6-7-17(14-34)26-21-20-18(27-23(25)28-21)10-11-33(20)13-15-12-16(8-9-19(15)35-4)24(2,3)22-29-31-32-30-22/h8-12,17,34H,5-7,13-14H2,1-4H3,(H3,25,26,27,28)(H,29,30,31,32)
InChIKeyZJCMDZVSGDFLGB-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.87
Rot. Bonds11

About 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol

2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (PubChem CID 118484689) has the molecular formula C24H33N9O2 and a molecular weight of 479.59 g/mol. Its IUPAC name is 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
PubChem CID118484689
Molecular FormulaC24H33N9O2
Molecular Weight479.59 g/mol
Exact Mass479.28
IUPAC Name2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
SMILESCCCCC(CO)Nc1nc(N)nc2ccn(Cc3cc(C(C)(C)c4nn[nH]n4)ccc3OC)c12
InChIInChI=1S/C24H33N9O2/c1-5-6-7-17(14-34)26-21-20-18(27-23(25)28-21)10-11-33(20)13-15-12-16(8-9-19(15)35-4)24(2,3)22-29-31-32-30-22/h8-12,17,34H,5-7,13-14H2,1-4H3,(H3,25,26,27,28)(H,29,30,31,32)
InChIKeyZJCMDZVSGDFLGB-UHFFFAOYSA-N
XLogP2.87
TPSA152.68 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol with MolForge

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Related Compounds

(2S)-2-[[2-amino-5-[(5-bromo-2-methoxyphenyl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol
CID 118484054
5-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118484657
4-N-butyl-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]-6-methylpyrimidine-2,4-diamine
CID 134562866
5-[(2-methoxy-5-methylphenyl)methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 123513951
2-amino-6-[[5-[4-[[3-[[2-amino-4-(1-hydroxyhexan-2-ylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxyphenyl]methyl]piperazin-1-yl]-5-oxopentanoyl]amino]hexanoic acid
CID 129073159
(3S)-3-[[2-amino-5-[[2-methoxy-5-(2H-tetrazol-5-ylmethyl)phenyl]methyl]-6-methylpyrimidin-4-yl]amino]heptan-1-ol
CID 134562902
5-[2-[3-(2,2-dimethylpropyl)-4-methoxyphenyl]propan-2-yl]-2H-tetrazole
CID 134572299
5-[[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 144954877
(2S)-2-[(2-amino-7-methoxyquinazolin-4-yl)amino]hexan-1-ol;sulfane
CID 158174222
3-[[2-amino-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol
CID 123857210
5-[[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 129099320
4-N-(1-methoxyheptan-3-yl)-5-[[2-methoxy-5-(2H-tetrazol-5-ylmethyl)phenyl]methyl]-6-methylpyrimidine-2,4-diamine
CID 146182627

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The IUPAC name of 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol (CID 118484689) is 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol.
What is the SMILES notation for 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The canonical SMILES for 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is CCCCC(CO)Nc1nc(N)nc2ccn(Cc3cc(C(C)(C)c4nn[nH]n4)ccc3OC)c12.
What is the InChIKey of 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
The InChIKey is ZJCMDZVSGDFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O2/c1-5-6-7-17(14-34)26-21-20-18(27-23(25)28-21)10-11-33(20)13-15-12-16(8-9-19(15)35-4)24(2,3)22-29-31-32-30-22/h8-12,17,34H,5-7,13-14H2,1-4H3,(H3,25,26,27,28)(H,29,30,31,32).
What are the key properties of 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol?
2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol has a molecular weight of 479.59 g/mol, XLogP of 2.87, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-[[2-methoxy-5-[2-(2H-tetrazol-5-yl)propan-2-yl]phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol is sourced from PubChem (CID 118484689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).