(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate

C9H12N4O2 — CID 83820404

IUPAC(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
SMILESCc1cc(OC(=O)NC2CNC2)ncn1
InChIInChI=1S/C9H12N4O2/c1-6-2-8(12-5-11-6)15-9(14)13-7-3-10-4-7/h2,5,7,10H,3-4H2,1H3,(H,13,14)
InChIKeyMISYSFDNJFTEGR-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.15
Rot. Bonds2

About (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate

(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate (PubChem CID 83820404) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate.

Molecular Properties

Compound Name(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
PubChem CID83820404
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate
SMILESCc1cc(OC(=O)NC2CNC2)ncn1
InChIInChI=1S/C9H12N4O2/c1-6-2-8(12-5-11-6)15-9(14)13-7-3-10-4-7/h2,5,7,10H,3-4H2,1H3,(H,13,14)
InChIKeyMISYSFDNJFTEGR-UHFFFAOYSA-N
XLogP-0.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Dimethylamino)-6-methylpyrimidin-4-yl dimethylcarbamate
CID 14054371
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylcarbamate
CID 54163373
2-(Dimethylamino)-6-methylpyrimidin-4-yl diethylcarbamate
CID 76327438
US20240336571, Example 52
CID 168955824
[6-methyl-2-(methylamino)pyrimidin-4-yl] N,N-dimethylcarbamate
CID 76309315
[2-(diethylamino)-6-methylpyrimidin-4-yl] N,N-diethylcarbamate
CID 76316536
(2-methoxy-6-methylpyrimidin-4-yl) N,N-dimethylcarbamate
CID 76320254
4-Aminomethyl-6-methoxypyrimidine
CID 72207579
tert-butyl N-[[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]carbamate
CID 166520333
1-[[6-(Difluoromethoxy)pyrimidin-4-yl]methyl]-3-[3-(trifluoromethyl)cyclobutyl]urea;molecular hydrogen
CID 168892254
1-[[6-(Difluoromethoxy)pyrimidin-4-yl]methyl]-3-[3-(trifluoromethyl)cyclobutyl]urea
CID 168892255
1-Methyl-3-[[6-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]urea
CID 169901431

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate?
The IUPAC name of (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate (CID 83820404) is (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate.
What is the SMILES notation for (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate?
The canonical SMILES for (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate is Cc1cc(OC(=O)NC2CNC2)ncn1.
What is the InChIKey of (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate?
The InChIKey is MISYSFDNJFTEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-2-8(12-5-11-6)15-9(14)13-7-3-10-4-7/h2,5,7,10H,3-4H2,1H3,(H,13,14).
What are the key properties of (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate?
(6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate has a molecular weight of 208.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrimidin-4-yl) N-(azetidin-3-yl)carbamate is sourced from PubChem (CID 83820404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).