4H-pyrido[1,2-a]pyrimidin-2-amine

C8H9N3 — CID 138376774

IUPAC4H-pyrido[1,2-a]pyrimidin-2-amine
SMILESNC1=CCN2C=CC=CC2=N1
InChIInChI=1S/C8H9N3/c9-7-4-6-11-5-2-1-3-8(11)10-7/h1-5H,6,9H2
InChIKeyXBKGSROWZXKGLI-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.58
Rot. Bonds

About 4H-pyrido[1,2-a]pyrimidin-2-amine

4H-pyrido[1,2-a]pyrimidin-2-amine (PubChem CID 138376774) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidin-2-amine.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidin-2-amine
PubChem CID138376774
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4H-pyrido[1,2-a]pyrimidin-2-amine
SMILESNC1=CCN2C=CC=CC2=N1
InChIInChI=1S/C8H9N3/c9-7-4-6-11-5-2-1-3-8(11)10-7/h1-5H,6,9H2
InChIKeyXBKGSROWZXKGLI-UHFFFAOYSA-N
XLogP0.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Prop-2-enylpyridin-2-imine;hydrobromide
CID 90654283
2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 12404659
Pyrido[1,2-a]pyrimidine
CID 20094215
2h-Pyrido-[1,2-a]pyrimidine
CID 20222720
3,4-Dihydro-2h-pyrido[1,2-a]pyrimidine
CID 21111582
4h-Pyrido[1,2-a]pyrimidine-4-imine
CID 129744803
2h-Pyrido[1,2-a]-pyrimidine-2-imine
CID 129745249
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
Pyrido-[1,2-a]-1,3-diazepine
CID 129798958
Iminoquinolizine
CID 129799109
2h-Pyrido[1,2-a][1,3,5]triazine
CID 129879268
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283

Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[1,2-a]pyrimidin-2-amine?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidin-2-amine (CID 138376774) is 4H-pyrido[1,2-a]pyrimidin-2-amine.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidin-2-amine?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidin-2-amine is NC1=CCN2C=CC=CC2=N1.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidin-2-amine?
The InChIKey is XBKGSROWZXKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-7-4-6-11-5-2-1-3-8(11)10-7/h1-5H,6,9H2.
What are the key properties of 4H-pyrido[1,2-a]pyrimidin-2-amine?
4H-pyrido[1,2-a]pyrimidin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidin-2-amine is sourced from PubChem (CID 138376774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).