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

C20H19N9O — CID 118334994

IUPAC4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4cn(-c5ccccc5)nn4)c23)no1
InChIInChI=1S/C20H19N9O/c1-13-9-14(26-30-13)10-22-19-18-17(23-20(21)24-19)7-8-28(18)11-15-12-29(27-25-15)16-5-3-2-4-6-16/h2-9,12H,10-11H2,1H3,(H3,21,22,23,24)
InChIKeyMHRDBAAMAZNITH-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.55
Rot. Bonds6

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

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334994) has the molecular formula C20H19N9O and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334994
Molecular FormulaC20H19N9O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2nc(N)nc3ccn(Cc4cn(-c5ccccc5)nn4)c23)no1
InChIInChI=1S/C20H19N9O/c1-13-9-14(26-30-13)10-22-19-18-17(23-20(21)24-19)7-8-28(18)11-15-12-29(27-25-15)16-5-3-2-4-6-16/h2-9,12H,10-11H2,1H3,(H3,21,22,23,24)
InChIKeyMHRDBAAMAZNITH-UHFFFAOYSA-N
XLogP2.55
TPSA125.50 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

Related Compounds

5-[(6-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887024
6-Bromo-2-(1-Methyl-1h-Imidazol-5-Yl)-7-{4-[(5-Methyl-1,2-Oxazol-3-Yl)methyl]piperazin-1-Yl}-1h-Imidazo[4,5-B]pyridine
CID 70789751
1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388758
3-((4-(2-(4-((1H-pyrazol-1-yl)methyl)phenyl)-6-bromo-3H-imidazo[4,5-b]pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CID 46868087
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887098
5-[(3-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887511
4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887700
5-[(3-fluoro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334971
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334974
4-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334975
4-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334976

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334994) is 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)nc3ccn(Cc4cn(-c5ccccc5)nn4)c23)no1.
What is the InChIKey of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MHRDBAAMAZNITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O/c1-13-9-14(26-30-13)10-22-19-18-17(23-20(21)24-19)7-8-28(18)11-15-12-29(27-25-15)16-5-3-2-4-6-16/h2-9,12H,10-11H2,1H3,(H3,21,22,23,24).
What are the key properties of 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 401.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).