tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate

C16H19N3O2 — CID 101394554

IUPACtert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
SMILESCc1nccc(-c2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-17-9-8-14(18-11)12-6-5-7-13(10-12)19-15(20)21-16(2,3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyOQYBAYGXGUNWRP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.80
Rot. Bonds2

About tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate

tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate (PubChem CID 101394554) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
PubChem CID101394554
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nametert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
SMILESCc1nccc(-c2cccc(NC(=O)OC(C)(C)C)c2)n1
InChIInChI=1S/C16H19N3O2/c1-11-17-9-8-14(18-11)12-6-5-7-13(10-12)19-15(20)21-16(2,3)4/h5-10H,1-4H3,(H,19,20)
InChIKeyOQYBAYGXGUNWRP-UHFFFAOYSA-N
XLogP3.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
CID 53419021
tert-butyl N-[3-[(2-methylpyrimidin-4-yl)methylamino]phenyl]carbamate
CID 107240029
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707140
2-(2-tert-butylphenoxy)-N-[3-(2-methylpyrimidin-4-yl)phenyl]acetamide
CID 39027894
tert-butyl N-[3-(2-methyltriazol-4-yl)phenyl]carbamate
CID 166844908
2-methyl-3-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]propanamide;hydrochloride
CID 119707145
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
tert-butyl N-[3-(5-amino-1-methylpyrazol-3-yl)phenyl]carbamate
CID 117465922
2-[[3-(2-methylpyrimidin-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180289
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1,2-oxazole-5-carboxylic acid
CID 117489516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate (CID 101394554) is tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate is Cc1nccc(-c2cccc(NC(=O)OC(C)(C)C)c2)n1.
What is the InChIKey of tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate?
The InChIKey is OQYBAYGXGUNWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-17-9-8-14(18-11)12-6-5-7-13(10-12)19-15(20)21-16(2,3)4/h5-10H,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate?
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate has a molecular weight of 285.35 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate is sourced from PubChem (CID 101394554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).