N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate

C7H10N3O3- — CID 131731836

IUPACN-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
SMILESCC1CC(=O)N(C)C(NC(=O)[O-])=N1
InChIInChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13)/p-1
InChIKeyAXONEFXRIBFKHW-UHFFFAOYSA-M
MW184.17 g/mol
LogP-1.47
Rot. Bonds

About N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate

N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate (PubChem CID 131731836) has the molecular formula C7H10N3O3- and a molecular weight of 184.17 g/mol. Its IUPAC name is N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound NameN-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
PubChem CID131731836
Molecular FormulaC7H10N3O3-
Molecular Weight184.17 g/mol
Exact Mass184.07
IUPAC NameN-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
SMILESCC1CC(=O)N(C)C(NC(=O)[O-])=N1
InChIInChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13)/p-1
InChIKeyAXONEFXRIBFKHW-UHFFFAOYSA-M
XLogP-1.47
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 70142751
2-Amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one
CID 77783757
(1,4,5-Trimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
CID 160586980
tert-butyl N-[(4S)-1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl]carbamate
CID 163649750
(1,4-Dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamic acid
CID 131731837

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The IUPAC name of N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate (CID 131731836) is N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate.
What is the SMILES notation for N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The canonical SMILES for N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate is CC1CC(=O)N(C)C(NC(=O)[O-])=N1.
What is the InChIKey of N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
The InChIKey is AXONEFXRIBFKHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N3O3/c1-4-3-5(11)10(2)6(8-4)9-7(12)13/h4H,3H2,1-2H3,(H,8,9)(H,12,13)/p-1.
What are the key properties of N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate?
N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate has a molecular weight of 184.17 g/mol, XLogP of -1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 131731836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).