(2-methylpyrimidin-4-yl) carbamate

C6H7N3O2 — CID 119083967

IUPAC(2-methylpyrimidin-4-yl) carbamate
SMILESCc1nccc(OC(N)=O)n1
InChIInChI=1S/C6H7N3O2/c1-4-8-3-2-5(9-4)11-6(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyAHIZMZGJFYVSDH-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.24
Rot. Bonds1

About (2-methylpyrimidin-4-yl) carbamate

(2-methylpyrimidin-4-yl) carbamate (PubChem CID 119083967) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl) carbamate.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl) carbamate
PubChem CID119083967
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name(2-methylpyrimidin-4-yl) carbamate
SMILESCc1nccc(OC(N)=O)n1
InChIInChI=1S/C6H7N3O2/c1-4-8-3-2-5(9-4)11-6(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyAHIZMZGJFYVSDH-UHFFFAOYSA-N
XLogP0.24
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrimidin-4-yl) pyrrolidine-2-carboxylate
CID 175337994
2-[(2-methylpyrimidin-4-yl)methylamino]ethyl carbamate
CID 83211810
(2-chloro-4-methyl-3-pyridinyl) carbamate
CID 89310539
3-amino-3-(2-methylpyrimidin-4-yl)propanamide
CID 115527138
ethyl (2-methylpyrimidin-4-yl)sulfanylformate
CID 174893044
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
ethyl 2-(2-methylpyrimidine-4-carbonyl)pentanoate
CID 83043436
4-methoxy-2-(2-methylpyrimidin-4-yl)oxybenzoic acid
CID 62770062
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
2,2-dimethyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 115529797
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl) carbamate?
The IUPAC name of (2-methylpyrimidin-4-yl) carbamate (CID 119083967) is (2-methylpyrimidin-4-yl) carbamate.
What is the SMILES notation for (2-methylpyrimidin-4-yl) carbamate?
The canonical SMILES for (2-methylpyrimidin-4-yl) carbamate is Cc1nccc(OC(N)=O)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl) carbamate?
The InChIKey is AHIZMZGJFYVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4-8-3-2-5(9-4)11-6(7)10/h2-3H,1H3,(H2,7,10).
What are the key properties of (2-methylpyrimidin-4-yl) carbamate?
(2-methylpyrimidin-4-yl) carbamate has a molecular weight of 153.14 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl) carbamate is sourced from PubChem (CID 119083967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).