2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C13H15N3O2 — CID 22299398

IUPAC2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC(C)CNc1nc2ccccn2c(=O)c1C=O
InChIInChI=1S/C13H15N3O2/c1-9(2)7-14-12-10(8-17)13(18)16-6-4-3-5-11(16)15-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyRBQCCHNXJBAIDW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 22299398) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID22299398
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCC(C)CNc1nc2ccccn2c(=O)c1C=O
InChIInChI=1S/C13H15N3O2/c1-9(2)7-14-12-10(8-17)13(18)16-6-4-3-5-11(16)15-12/h3-6,8-9,14H,7H2,1-2H3
InChIKeyRBQCCHNXJBAIDW-UHFFFAOYSA-N
XLogP1.57
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropyl)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3744867
2-(2-methoxyanilino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 4638153
2-[methyl(propan-2-yl)amino]-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 818165
(5E)-3-(1,1-dioxothiolan-3-yl)-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18805925
5-[[4-oxo-2-(propylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3772989
2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 53353889
methyl (2R)-2-[benzyl-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propanoate
CID 101250236
propan-2-yl 2-methyl-3-[(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]propanoate
CID 133325499
2-[[(2S)-2-(4-methylpiperazin-1-yl)propyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 94751490
2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 123783493
(5Z)-3-[(2S)-butan-2-yl]-5-[[2-(2-hydroxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7470325
3-butyl-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3346617

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 22299398) is 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is CC(C)CNc1nc2ccccn2c(=O)c1C=O.
What is the InChIKey of 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is RBQCCHNXJBAIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(2)7-14-12-10(8-17)13(18)16-6-4-3-5-11(16)15-12/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 245.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 22299398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).