N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide

C12H18N4O — CID 137292174

IUPACN,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide
SMILES[H]/N=C(/C1=C2NC=CC(=O)N2C(C)CC1)N(C)C
InChIInChI=1S/C12H18N4O/c1-8-4-5-9(11(13)15(2)3)12-14-7-6-10(17)16(8)12/h6-8,13-14H,4-5H2,1-3H3/b13-11-
InChIKeyUJYQYIQPKGDSIP-QBFSEMIESA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds1

About N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide

N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide (PubChem CID 137292174) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide.

Molecular Properties

Compound NameN,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide
PubChem CID137292174
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide
SMILES[H]/N=C(/C1=C2NC=CC(=O)N2C(C)CC1)N(C)C
InChIInChI=1S/C12H18N4O/c1-8-4-5-9(11(13)15(2)3)12-14-7-6-10(17)16(8)12/h6-8,13-14H,4-5H2,1-3H3/b13-11-
InChIKeyUJYQYIQPKGDSIP-QBFSEMIESA-N
XLogP0.86
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(9Z)-9-[dimethylamino(methylamino)methylidene]-6-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 134875655
3-cyano-N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide
CID 137280904

Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide?
The IUPAC name of N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide (CID 137292174) is N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide.
What is the SMILES notation for N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide?
The canonical SMILES for N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide is [H]/N=C(/C1=C2NC=CC(=O)N2C(C)CC1)N(C)C.
What is the InChIKey of N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide?
The InChIKey is UJYQYIQPKGDSIP-QBFSEMIESA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-4-5-9(11(13)15(2)3)12-14-7-6-10(17)16(8)12/h6-8,13-14H,4-5H2,1-3H3/b13-11-.
What are the key properties of N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide?
N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-4-oxo-1,6,7,8-tetrahydropyrido[1,2-a]pyrimidine-9-carboximidamide is sourced from PubChem (CID 137292174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).