[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate

C20H18ClN7O3 — CID 130443187

IUPAC[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1c(Cl)cccc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H18ClN7O3/c1-22-18(29)16-13(21)3-2-4-14(16)28-20(30)31-19-17(26-12-7-23-10-24-8-12)25-9-15(27-19)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyGXXCBXHYOQQCRZ-UHFFFAOYSA-N
MW439.86 g/mol
LogP3.51
Rot. Bonds6

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate (PubChem CID 130443187) has the molecular formula C20H18ClN7O3 and a molecular weight of 439.86 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
PubChem CID130443187
Molecular FormulaC20H18ClN7O3
Molecular Weight439.86 g/mol
Exact Mass439.12
IUPAC Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1c(Cl)cccc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C20H18ClN7O3/c1-22-18(29)16-13(21)3-2-4-14(16)28-20(30)31-19-17(26-12-7-23-10-24-8-12)25-9-15(27-19)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30)
InChIKeyGXXCBXHYOQQCRZ-UHFFFAOYSA-N
XLogP3.51
TPSA131.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-fluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443031
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443053
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]carbamate
CID 130443182
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[2-fluoro-6-(methylcarbamoyl)phenyl]carbamate
CID 130443107
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(ethylcarbamoyl)pyrazol-4-yl]carbamate
CID 130442937
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate
CID 130443064
6-cyclopropyl-N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548369
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443112
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443133
[5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carbonyl]amino]-2-methylpyrimidin-4-yl] N-methylcarbamate
CID 130443017
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[5-[(2-methoxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443099
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(oxetan-3-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130443179

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate (CID 130443187) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate is CNC(=O)c1c(Cl)cccc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is GXXCBXHYOQQCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O3/c1-22-18(29)16-13(21)3-2-4-14(16)28-20(30)31-19-17(26-12-7-23-10-24-8-12)25-9-15(27-19)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,22,29)(H,25,26)(H,28,30).
What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate?
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 439.86 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 130443187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).