2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one

C14H19N3O — CID 12843616

IUPAC2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)N(c1cc(=O)n2ccccc2n1)C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)17(11(3)4)13-9-14(18)16-8-6-5-7-12(16)15-13/h5-11H,1-4H3
InChIKeyWTEZNOFUQLGQDM-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.32
Rot. Bonds3

About 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one

2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 12843616) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID12843616
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)N(c1cc(=O)n2ccccc2n1)C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)17(11(3)4)13-9-14(18)16-8-6-5-7-12(16)15-13/h5-11H,1-4H3
InChIKeyWTEZNOFUQLGQDM-UHFFFAOYSA-N
XLogP2.32
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one (CID 12843616) is 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one is CC(C)N(c1cc(=O)n2ccccc2n1)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WTEZNOFUQLGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)17(11(3)4)13-9-14(18)16-8-6-5-7-12(16)15-13/h5-11H,1-4H3.
What are the key properties of 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one?
2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 245.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).