6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C21H20N6O2 — CID 165415184

IUPAC6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2/c28-21(25-8-13-1-4-18-15(7-13)5-6-29-18)19-20(26-16-9-22-12-23-10-16)24-11-17(27-19)14-2-3-14/h1,4,7,9-12,14H,2-3,5-6,8H2,(H,24,26)(H,25,28)
InChIKeyHJPJLYMVLMMVIN-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.75
Rot. Bonds6

About 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 165415184) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID165415184
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C21H20N6O2/c28-21(25-8-13-1-4-18-15(7-13)5-6-29-18)19-20(26-16-9-22-12-23-10-16)24-11-17(27-19)14-2-3-14/h1,4,7,9-12,14H,2-3,5-6,8H2,(H,24,26)(H,25,28)
InChIKeyHJPJLYMVLMMVIN-UHFFFAOYSA-N
XLogP2.75
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-amino-6-[4-(2-piperidin-1-ylethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139085
N-(2-(cyclopropylamino)pyrimidin-4-yl)-N-(piperidin-4-ylmethyl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886220
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-phenoxyphenyl)methyl]imidazole-4-carboxamide
CID 56836330
2-(2-ethoxyphenyl)-8-methyl-3H-purino[9,8-a]pyridin-4-one
CID 135964375
3-amino-N-[4-(4-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 68187574
N-(trans-4-fluoropiperidin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763666
N-(4-fluoropyridin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763684
N-(4-methylpyridin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763705
N-(pyridin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763719
6-fluoro-N-(pyridin-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763748

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 165415184) is 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is O=C(NCc1ccc2c(c1)CCO2)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is HJPJLYMVLMMVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-21(25-8-13-1-4-18-15(7-13)5-6-29-18)19-20(26-16-9-22-12-23-10-16)24-11-17(27-19)14-2-3-14/h1,4,7,9-12,14H,2-3,5-6,8H2,(H,24,26)(H,25,28).
What are the key properties of 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 165415184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).