4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine

C13H18N4 — CID 12744577

IUPAC4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine
SMILES[H]/N=c1\cc(C(CC)CC)nc2c(N)cccn12
InChIInChI=1S/C13H18N4/c1-3-9(4-2)11-8-12(15)17-7-5-6-10(14)13(17)16-11/h5-9,15H,3-4,14H2,1-2H3/b15-12+
InChIKeyPCUUXJWNDWGBMT-NTCAYCPXSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds3

About 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine

4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine (PubChem CID 12744577) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine.

Molecular Properties

Compound Name4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine
PubChem CID12744577
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine
SMILES[H]/N=c1\cc(C(CC)CC)nc2c(N)cccn12
InChIInChI=1S/C13H18N4/c1-3-9(4-2)11-8-12(15)17-7-5-6-10(14)13(17)16-11/h5-9,15H,3-4,14H2,1-2H3/b15-12+
InChIKeyPCUUXJWNDWGBMT-NTCAYCPXSA-N
XLogP2.30
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
CID 123139166
4-Imino-2-pentan-2-ylpyrido[1,2-a]pyrimidin-9-amine
CID 12744576

Frequently Asked Questions

What is the IUPAC name of 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine?
The IUPAC name of 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine (CID 12744577) is 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine.
What is the SMILES notation for 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine?
The canonical SMILES for 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine is [H]/N=c1\cc(C(CC)CC)nc2c(N)cccn12.
What is the InChIKey of 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine?
The InChIKey is PCUUXJWNDWGBMT-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-9(4-2)11-8-12(15)17-7-5-6-10(14)13(17)16-11/h5-9,15H,3-4,14H2,1-2H3/b15-12+.
What are the key properties of 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine?
4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine has a molecular weight of 230.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine is sourced from PubChem (CID 12744577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).