1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide

C12H18N4O3 — CID 150229737

IUPAC1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(CCN2CCOCC2)nc(C(N)=O)cc1=O
InChIInChI=1S/C12H18N4O3/c1-15-10(2-3-16-4-6-19-7-5-16)14-9(12(13)18)8-11(15)17/h8H,2-7H2,1H3,(H2,13,18)
InChIKeyFVFKAZKBBOYMHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.25
Rot. Bonds4

About 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide

1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide (PubChem CID 150229737) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
PubChem CID150229737
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(CCN2CCOCC2)nc(C(N)=O)cc1=O
InChIInChI=1S/C12H18N4O3/c1-15-10(2-3-16-4-6-19-7-5-16)14-9(12(13)18)8-11(15)17/h8H,2-7H2,1H3,(H2,13,18)
InChIKeyFVFKAZKBBOYMHP-UHFFFAOYSA-N
XLogP-1.25
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5z)-2-Ethyl-3-methyl-5-(morpholin-4-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700627
2-Isopropyl-6-(morpholinomethyl)-4-pyrimidinol
CID 135486292
9,9-Dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90770449
N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4,6,7,9-Tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90903104
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
1-Methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
CID 141087183
9-ethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 151334078
4-Oxo-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]oxazepine-2-carboxamide
CID 154512106
2,6-Dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748970
6-Amino-2-methoxy-3-(3-morpholin-4-ylpropyl)pyrimidin-4-one
CID 11594190
2,6-Dimethyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 64534460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide (CID 150229737) is 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide is Cn1c(CCN2CCOCC2)nc(C(N)=O)cc1=O.
What is the InChIKey of 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is FVFKAZKBBOYMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-10(2-3-16-4-6-19-7-5-16)14-9(12(13)18)8-11(15)17/h8H,2-7H2,1H3,(H2,13,18).
What are the key properties of 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide?
1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-morpholin-4-ylethyl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 150229737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).