pyrido[2,3-d]pyrimidine-2,7-diamine

C7H7N5 — CID 22134678

IUPACpyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ccc2cnc(N)nc2n1
InChIInChI=1S/C7H7N5/c8-5-2-1-4-3-10-7(9)12-6(4)11-5/h1-3H,(H4,8,9,10,11,12)
InChIKeyQRRCMVPZJCHBLQ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.19
Rot. Bonds

About pyrido[2,3-d]pyrimidine-2,7-diamine

pyrido[2,3-d]pyrimidine-2,7-diamine (PubChem CID 22134678) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is pyrido[2,3-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Namepyrido[2,3-d]pyrimidine-2,7-diamine
PubChem CID22134678
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Namepyrido[2,3-d]pyrimidine-2,7-diamine
SMILESNc1ccc2cnc(N)nc2n1
InChIInChI=1S/C7H7N5/c8-5-2-1-4-3-10-7(9)12-6(4)11-5/h1-3H,(H4,8,9,10,11,12)
InChIKeyQRRCMVPZJCHBLQ-UHFFFAOYSA-N
XLogP0.19
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrido[2,3-d]pyrimidine-2,7-diamine?
The IUPAC name of pyrido[2,3-d]pyrimidine-2,7-diamine (CID 22134678) is pyrido[2,3-d]pyrimidine-2,7-diamine.
What is the SMILES notation for pyrido[2,3-d]pyrimidine-2,7-diamine?
The canonical SMILES for pyrido[2,3-d]pyrimidine-2,7-diamine is Nc1ccc2cnc(N)nc2n1.
What is the InChIKey of pyrido[2,3-d]pyrimidine-2,7-diamine?
The InChIKey is QRRCMVPZJCHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-5-2-1-4-3-10-7(9)12-6(4)11-5/h1-3H,(H4,8,9,10,11,12).
What are the key properties of pyrido[2,3-d]pyrimidine-2,7-diamine?
pyrido[2,3-d]pyrimidine-2,7-diamine has a molecular weight of 161.17 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,3-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 22134678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).