4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine

C12H17N5 — CID 122598685

IUPAC4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C12H17N5/c1-3-5-8(2)15-11-10-9(6-4-7-14-10)16-12(13)17-11/h4,6-8H,3,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyPWJVWMXTULXVRU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.21
Rot. Bonds4

About 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine

4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122598685) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID122598685
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C12H17N5/c1-3-5-8(2)15-11-10-9(6-4-7-14-10)16-12(13)17-11/h4,6-8H,3,5H2,1-2H3,(H3,13,15,16,17)
InChIKeyPWJVWMXTULXVRU-UHFFFAOYSA-N
XLogP2.21
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 122598685) is 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine is CCCC(C)Nc1nc(N)nc2cccnc12.
What is the InChIKey of 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is PWJVWMXTULXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-5-8(2)15-11-10-9(6-4-7-14-10)16-12(13)17-11/h4,6-8H,3,5H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-ylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122598685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).