methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate

C15H16ClN3O2 — CID 88867278

IUPACmethyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate
SMILESCOC(=O)NC(C)Cc1ccc(-c2cnc(Cl)nc2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-10(19-15(20)21-2)7-11-3-5-12(6-4-11)13-8-17-14(16)18-9-13/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyDFQAWZHXGHJRSK-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.08
Rot. Bonds4

About methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate

methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate (PubChem CID 88867278) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate
PubChem CID88867278
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Namemethyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate
SMILESCOC(=O)NC(C)Cc1ccc(-c2cnc(Cl)nc2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-10(19-15(20)21-2)7-11-3-5-12(6-4-11)13-8-17-14(16)18-9-13/h3-6,8-10H,7H2,1-2H3,(H,19,20)
InChIKeyDFQAWZHXGHJRSK-UHFFFAOYSA-N
XLogP3.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(4-ethynylphenyl)propan-2-yl]carbamate
CID 87085144
N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 66635511
methyl N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]carbamate
CID 66634887
2-chloro-5-(4-ethylphenyl)pyrimidine
CID 82114110
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
N-[1-(4-chlorophenyl)propan-2-yl]-2-methylpropanamide
CID 60769951
methyl N-[1-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47077305
propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
CID 20667102
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate (CID 88867278) is methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate is COC(=O)NC(C)Cc1ccc(-c2cnc(Cl)nc2)cc1.
What is the InChIKey of methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate?
The InChIKey is DFQAWZHXGHJRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10(19-15(20)21-2)7-11-3-5-12(6-4-11)13-8-17-14(16)18-9-13/h3-6,8-10H,7H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate?
methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate has a molecular weight of 305.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-(2-chloropyrimidin-5-yl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 88867278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).