4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C19H19N7 — CID 118335013

IUPAC4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1
InChIInChI=1S/C19H19N7/c1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15/h2-10H,11-12H2,1H3,(H3,20,23,24,25)
InChIKeyPSQVCGRXHZRWES-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.77
Rot. Bonds5

About 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118335013) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118335013
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1
InChIInChI=1S/C19H19N7/c1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15/h2-10H,11-12H2,1H3,(H3,20,23,24,25)
InChIKeyPSQVCGRXHZRWES-UHFFFAOYSA-N
XLogP2.77
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118335013) is 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1ccc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)nc1.
What is the InChIKey of 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is PSQVCGRXHZRWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13-5-6-14(22-10-13)11-23-18-17-16(24-19(20)25-18)7-9-26(17)12-15-4-2-3-8-21-15/h2-10H,11-12H2,1H3,(H3,20,23,24,25).
What are the key properties of 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methyl-2-pyridinyl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118335013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).