6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

C14H14N6 — CID 511804

IUPAC6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(CNc3ccccc3)cnc2n1
InChIInChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20)
InChIKeyAURBMPJKJCBLSU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.80
Rot. Bonds3

About 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine

6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 511804) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID511804
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(CNc3ccccc3)cnc2n1
InChIInChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20)
InChIKeyAURBMPJKJCBLSU-UHFFFAOYSA-N
XLogP1.80
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine (CID 511804) is 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2cc(CNc3ccccc3)cnc2n1.
What is the InChIKey of 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AURBMPJKJCBLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c15-12-11-6-9(7-17-10-4-2-1-3-5-10)8-18-13(11)20-14(16)19-12/h1-6,8,17H,7H2,(H4,15,16,18,19,20).
What are the key properties of 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine?
6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 266.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(anilinomethyl)pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 511804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).