[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate

C22H24N8O4 — CID 130443064

IUPAC[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate
SMILESCC(C)(O)CNC(=O)c1ccncc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O4/c1-22(2,33)11-27-19(31)15-5-6-23-9-17(15)30-21(32)34-20-18(28-14-7-24-12-25-8-14)26-10-16(29-20)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,30,32)
InChIKeyJAEUJDSNTMPOQM-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.39
Rot. Bonds8

About [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate

[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate (PubChem CID 130443064) has the molecular formula C22H24N8O4 and a molecular weight of 464.49 g/mol. Its IUPAC name is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate
PubChem CID130443064
Molecular FormulaC22H24N8O4
Molecular Weight464.49 g/mol
Exact Mass464.19
IUPAC Name[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate
SMILESCC(C)(O)CNC(=O)c1ccncc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C22H24N8O4/c1-22(2,33)11-27-19(31)15-5-6-23-9-17(15)30-21(32)34-20-18(28-14-7-24-12-25-8-14)26-10-16(29-20)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,30,32)
InChIKeyJAEUJDSNTMPOQM-UHFFFAOYSA-N
XLogP2.39
TPSA164.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

[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-[3-fluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443031
[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-[3,4-difluoro-2-(methylcarbamoyl)phenyl]carbamate
CID 130443053
[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-(dimethylcarbamoyl)-3-methoxyphenyl]carbamate
CID 130443182
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-ethyl-5-(2-methylpropylcarbamoyl)pyrazol-4-yl]carbamate
CID 130443133
[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-[5-[cyclopropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]carbamate
CID 130443112
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[1-methyl-5-[methyl(propan-2-yl)carbamoyl]pyrazol-4-yl]carbamate
CID 130442946
[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-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate?
The IUPAC name of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate (CID 130443064) is [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate.
What is the SMILES notation for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate?
The canonical SMILES for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate is CC(C)(O)CNC(=O)c1ccncc1NC(=O)Oc1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate?
The InChIKey is JAEUJDSNTMPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O4/c1-22(2,33)11-27-19(31)15-5-6-23-9-17(15)30-21(32)34-20-18(28-14-7-24-12-25-8-14)26-10-16(29-20)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,30,32).
What are the key properties of [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate?
[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate has a molecular weight of 464.49 g/mol, XLogP of 2.39, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazin-2-yl] N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]-3-pyridinyl]carbamate is sourced from PubChem (CID 130443064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).