6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H22N6O2 — CID 165415187

IUPAC6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1
InChIInChI=1S/C21H22N6O2/c1-13(2)29-17-5-3-4-15(8-17)26-21(28)19-20(25-16-9-22-12-23-10-16)24-11-18(27-19)14-6-7-14/h3-5,8-14H,6-7H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKWRRTHPCOKOTBE-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.93
Rot. Bonds7

About 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415187) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415187
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1
InChIInChI=1S/C21H22N6O2/c1-13(2)29-17-5-3-4-15(8-17)26-21(28)19-20(25-16-9-22-12-23-10-16)24-11-18(27-19)14-6-7-14/h3-5,8-14H,6-7H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKWRRTHPCOKOTBE-UHFFFAOYSA-N
XLogP3.93
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
6-cyclopropyl-N-[2-(dimethylcarbamoyl)-3-methoxyphenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548163
6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548363
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
6-cyclopropyl-N-[5-(difluoromethoxy)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415257
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 165415264
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 44516301
US10590140, Example 238
CID 132088987
US10590140, Example 149
CID 132089090
US10590140, Example 150
CID 132089355

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415187) is 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)Oc1cccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1.
What is the InChIKey of 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is KWRRTHPCOKOTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13(2)29-17-5-3-4-15(8-17)26-21(28)19-20(25-16-9-22-12-23-10-16)24-11-18(27-19)14-6-7-14/h3-5,8-14H,6-7H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).