9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

C12H14N4O — CID 910639

IUPAC9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC/N=C/c1c(NC)nc2c(C)cccn2c1=O
InChIInChI=1S/C12H14N4O/c1-8-5-4-6-16-11(8)15-10(14-3)9(7-13-2)12(16)17/h4-7,14H,1-3H3/b13-7+
InChIKeyMQSASOKDPIMRFE-NTUHNPAUSA-N
MW230.27 g/mol
LogP1.09
Rot. Bonds2

About 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 910639) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID910639
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESC/N=C/c1c(NC)nc2c(C)cccn2c1=O
InChIInChI=1S/C12H14N4O/c1-8-5-4-6-16-11(8)15-10(14-3)9(7-13-2)12(16)17/h4-7,14H,1-3H3/b13-7+
InChIKeyMQSASOKDPIMRFE-NTUHNPAUSA-N
XLogP1.09
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.09
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-Amino-8-propyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44356152
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
2-Amino-8-ethyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44355832
(E)-2-((2-methoxyethyl)amino)-3-(((2-methoxyethyl)imino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3114614
3-[(E)-[(2-Hydroxyethyl)imino]methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 3392007
7-Methyl-2-(prop-2-enylamino)-3-(prop-2-enyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 1581266
9-Methyl-2-(prop-2-enylamino)-3-(prop-2-enyliminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 1590919
(E)-2-(allylamino)-3-((allylimino)methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1609050
5-[(4-oxopyrido[2,3-d]pyrimidin-8-yl)methyl]-1H-pyrimidine-2,4-dione
CID 323618
2-(diethylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 24140558
(E)-2-((2-hydroxyethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde oxime
CID 135773732
2-[(2-hydroxyethyl)amino]-3-[(E)-(hydroxyimino)methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 136904756

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 910639) is 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is C/N=C/c1c(NC)nc2c(C)cccn2c1=O.
What is the InChIKey of 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MQSASOKDPIMRFE-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-5-4-6-16-11(8)15-10(14-3)9(7-13-2)12(16)17/h4-7,14H,1-3H3/b13-7+.
What are the key properties of 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(methylamino)-3-(methyliminomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 910639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).