2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

C17H20N4O — CID 53353889

IUPAC2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/CC2CC2)c(NCC2CC2)nc2ccccn12
InChIInChI=1S/C17H20N4O/c22-17-14(11-18-9-12-4-5-12)16(19-10-13-6-7-13)20-15-3-1-2-8-21(15)17/h1-3,8,11-13,19H,4-7,9-10H2/b18-11+
InChIKeyQTYOGXUCUUOSOQ-WOJGMQOQSA-N
MW296.37 g/mol
LogP2.35
Rot. Bonds6

About 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 53353889) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID53353889
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(/C=N/CC2CC2)c(NCC2CC2)nc2ccccn12
InChIInChI=1S/C17H20N4O/c22-17-14(11-18-9-12-4-5-12)16(19-10-13-6-7-13)20-15-3-1-2-8-21(15)17/h1-3,8,11-13,19H,4-7,9-10H2/b18-11+
InChIKeyQTYOGXUCUUOSOQ-WOJGMQOQSA-N
XLogP2.35
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 47151503
2-(prop-2-enylamino)-3-(prop-2-ynyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 123783493
2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 22299398
(5Z)-5-[[4-oxo-2-[[(2S)-oxolan-2-yl]methylamino]pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1391518
2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159853
3-methyl-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3146786
N-(1-cyclopropylpropan-2-yl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63996392
[(Z)-[2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylideneamino]thiourea
CID 6138228
3-[(E)-hydroxyiminomethyl]-2-[3-(trifluoromethyl)anilino]pyrido[1,2-a]pyrimidin-4-one
CID 135514246
2-anilino-3-[(4-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159741
2-(dibenzylamino)-3-[(E)-hydroxyiminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 177415618
3-(3-methoxypropyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2891595

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 53353889) is 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(/C=N/CC2CC2)c(NCC2CC2)nc2ccccn12.
What is the InChIKey of 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QTYOGXUCUUOSOQ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17-14(11-18-9-12-4-5-12)16(19-10-13-6-7-13)20-15-3-1-2-8-21(15)17/h1-3,8,11-13,19H,4-7,9-10H2/b18-11+.
What are the key properties of 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 296.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-3-(cyclopropylmethyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 53353889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).