[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate

C20H17F2N7O3 — CID 130443053

IUPAC[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C20H17F2N7O3/c1-23-18(30)15-13(5-4-12(21)16(15)22)29-20(31)32-19-17(27-11-6-24-9-25-7-11)26-8-14(28-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyQTFHAEHCOLATSO-UHFFFAOYSA-N
MW441.40 g/mol
LogP3.14
Rot. Bonds6

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate (PubChem CID 130443053) has the molecular formula C20H17F2N7O3 and a molecular weight of 441.40 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
PubChem CID130443053
Molecular FormulaC20H17F2N7O3
Molecular Weight441.40 g/mol
Exact Mass441.14
IUPAC Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
SMILESCNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F
InChIInChI=1S/C20H17F2N7O3/c1-23-18(30)15-13(5-4-12(21)16(15)22)29-20(31)32-19-17(27-11-6-24-9-25-7-11)26-8-14(28-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
InChIKeyQTFHAEHCOLATSO-UHFFFAOYSA-N
XLogP3.14
TPSA131.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 53.14
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-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-[3-chloro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443187
[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-[6-(dimethylcarbamoyl)-2,3-difluorophenyl]carbamate
CID 130442952
[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-[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-[6-cyclopropyl-2-(methylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548335
[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

Frequently Asked Questions

What is the IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate (CID 130443053) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate is CNC(=O)c1c(NC(=O)Oc2nc(C3CC3)cnc2Nc2cncnc2)ccc(F)c1F.
What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is QTFHAEHCOLATSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O3/c1-23-18(30)15-13(5-4-12(21)16(15)22)29-20(31)32-19-17(27-11-6-24-9-25-7-11)26-8-14(28-19)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31).
What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate?
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 441.40 g/mol, XLogP of 3.14, 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-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 130443053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).