4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine

C15H20N4 — CID 72870631

IUPAC4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c2c(N3CCCCCC3)ncnc2n1
InChIInChI=1S/C15H20N4/c1-11-9-12(2)18-14-13(11)15(17-10-16-14)19-7-5-3-4-6-8-19/h9-10H,3-8H2,1-2H3
InChIKeyMSOKZDPAZXPVKA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.02
Rot. Bonds1

About 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine

4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine (PubChem CID 72870631) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
PubChem CID72870631
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc(C)c2c(N3CCCCCC3)ncnc2n1
InChIInChI=1S/C15H20N4/c1-11-9-12(2)18-14-13(11)15(17-10-16-14)19-7-5-3-4-6-8-19/h9-10H,3-8H2,1-2H3
InChIKeyMSOKZDPAZXPVKA-UHFFFAOYSA-N
XLogP3.02
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine?
The IUPAC name of 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine (CID 72870631) is 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine is Cc1cc(C)c2c(N3CCCCCC3)ncnc2n1.
What is the InChIKey of 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine?
The InChIKey is MSOKZDPAZXPVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-9-12(2)18-14-13(11)15(17-10-16-14)19-7-5-3-4-6-8-19/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine?
4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine has a molecular weight of 256.35 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72870631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).