4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C15H27N3O2 — CID 56721835

IUPAC4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(CC(C)C)CC(C)C)C(C)NC(=O)N1
InChIInChI=1S/C15H27N3O2/c1-9(2)7-18(8-10(3)4)14(19)13-11(5)16-15(20)17-12(13)6/h9-11H,7-8H2,1-6H3,(H2,16,17,20)
InChIKeyBTKPCNXXRDWFEU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.10
Rot. Bonds5

About 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56721835) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56721835
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(CC(C)C)CC(C)C)C(C)NC(=O)N1
InChIInChI=1S/C15H27N3O2/c1-9(2)7-18(8-10(3)4)14(19)13-11(5)16-15(20)17-12(13)6/h9-11H,7-8H2,1-6H3,(H2,16,17,20)
InChIKeyBTKPCNXXRDWFEU-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-3-methyl-6-propyl-
CID 130005194
(4S)-4,6-dimethyl-2-oxo-N-(2-propoxyethyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95214954
5-Acetyl-4,6-dimethyl-3,4-dihydropyrimidin-2(1H)-one
CID 71351556
1-Ethylaminopentyl-3,6-dimethyluracil
CID 129761064
5-Acetyl-4,6-dimethyl-1,2,3,4-tetrahydropyrimidin-2-one
CID 139067403
5,6-Ditert-butyl-3-propyl-1,2-dihydropyrimidin-4-one
CID 23552394
5,6-ditert-butyl-2-methyl-2,3-dihydro-1H-pyrimidin-4-one
CID 23592100
3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-4-one
CID 57822033
3-Methyl-5,6-di(propan-2-yl)-1,2-dihydropyrimidin-2-id-4-one;rubidium(1+)
CID 57822061
5,6-di(propan-2-yl)-2,3-dihydro-1H-pyrimidin-4-one
CID 57822112
2,3-di(propan-2-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 57822119

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56721835) is 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(CC(C)C)CC(C)C)C(C)NC(=O)N1.
What is the InChIKey of 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is BTKPCNXXRDWFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-9(2)7-18(8-10(3)4)14(19)13-11(5)16-15(20)17-12(13)6/h9-11H,7-8H2,1-6H3,(H2,16,17,20).
What are the key properties of 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N,N-bis(2-methylpropyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56721835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).