5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C21H26N8OS — CID 158810958

IUPAC5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C21H26N8OS/c1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28/h3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25)
InChIKeyIURHXBBBVOXOHX-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.25
Rot. Bonds7

About 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 158810958) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID158810958
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C21H26N8OS/c1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28/h3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25)
InChIKeyIURHXBBBVOXOHX-UHFFFAOYSA-N
XLogP2.25
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
3-((R)-1-((2S,6R)-2,6-dimethylmorpholino)ethyl)-N-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl)isothiazol-5-amine
CID 46868971
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
N-[1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 11560313
1-(2-ethoxyethyl)-3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11574797
1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11682414
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11690391
N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-(pyridin-2-ylmethyl)-1,2-thiazol-5-amine
CID 25145716
1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46887035
1-(2-ethoxyethyl)-3-ethyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 46888541

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 158810958) is 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine is Cc1cc(Cc2nc(NCCN3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is IURHXBBBVOXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-15-11-17(31-26-15)12-19-24-18-3-5-29(16-13-23-27(2)14-16)20(18)21(25-19)22-4-6-28-7-9-30-10-8-28/h3,5,11,13-14H,4,6-10,12H2,1-2H3,(H,22,24,25).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine?
5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 438.56 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158810958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).