[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate

C19H21ClN4O3 — CID 150180447

IUPAC[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1ccc(-c2cc(Cl)ncn2)cc1C#N)OC(N)=O
InChIInChI=1S/C19H21ClN4O3/c1-12(2)8-19(3,27-18(22)25)10-26-16-5-4-13(6-14(16)9-21)15-7-17(20)24-11-23-15/h4-7,11-12H,8,10H2,1-3H3,(H2,22,25)
InChIKeyFLHSYZYHTQQNNS-UHFFFAOYSA-N
MW388.86 g/mol
LogP3.95
Rot. Bonds7

About [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate

[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 150180447) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate
PubChem CID150180447
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1ccc(-c2cc(Cl)ncn2)cc1C#N)OC(N)=O
InChIInChI=1S/C19H21ClN4O3/c1-12(2)8-19(3,27-18(22)25)10-26-16-5-4-13(6-14(16)9-21)15-7-17(20)24-11-23-15/h4-7,11-12H,8,10H2,1-3H3,(H2,22,25)
InChIKeyFLHSYZYHTQQNNS-UHFFFAOYSA-N
XLogP3.95
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate with MolForge

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Related Compounds

[1-[2-cyano-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 151300567
[(2S)-1-[2-cyano-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175158833
[1-[2-cyano-4-(2-formylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 150767648
[(2S)-1-[2-cyano-4-(1,6-naphthyridin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175069658
[1-[(4-chloro-6-pyridin-4-yl-3-pyridinyl)oxy]-2,4-dimethylpentan-2-yl] carbamate
CID 155004300
4-(6-chloropyrimidin-4-yl)-2-ethoxybenzonitrile;3-oxobutanoic acid
CID 174908478
2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
CID 11616351
[(2S)-1-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl] carbamate
CID 175073474
[2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-yl] carbamate
CID 151896827
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzonitrile
CID 137459390
tert-butyl N-[1-[2-cyano-4-[2-(difluoromethyl)pyrimidin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl]carbamate
CID 146320155
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]propanamide
CID 152925171

Frequently Asked Questions

What is the IUPAC name of [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate (CID 150180447) is [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate is CC(C)CC(C)(COc1ccc(-c2cc(Cl)ncn2)cc1C#N)OC(N)=O.
What is the InChIKey of [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is FLHSYZYHTQQNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-12(2)8-19(3,27-18(22)25)10-26-16-5-4-13(6-14(16)9-21)15-7-17(20)24-11-23-15/h4-7,11-12H,8,10H2,1-3H3,(H2,22,25).
What are the key properties of [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate?
[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 388.86 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 150180447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).