6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C25H29N7O5 — CID 58548236

IUPAC6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C25H29N7O5/c1-25(2,36)13-29-23(34)18-9-17(37-8-7-33)5-6-19(18)32-24(35)21-22(30-16-10-26-14-27-11-16)28-12-20(31-21)15-3-4-15/h5-6,9-12,14-15,33,36H,3-4,7-8,13H2,1-2H3,(H,28,30)(H,29,34)(H,32,35)
InChIKeyFXBKPNYQHNPCIC-UHFFFAOYSA-N
MW507.55 g/mol
LogP2.01
Rot. Bonds11

About 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548236) has the molecular formula C25H29N7O5 and a molecular weight of 507.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
PubChem CID58548236
Molecular FormulaC25H29N7O5
Molecular Weight507.55 g/mol
Exact Mass507.22
IUPAC Name6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C25H29N7O5/c1-25(2,36)13-29-23(34)18-9-17(37-8-7-33)5-6-19(18)32-24(35)21-22(30-16-10-26-14-27-11-16)28-12-20(31-21)15-3-4-15/h5-6,9-12,14-15,33,36H,3-4,7-8,13H2,1-2H3,(H,28,30)(H,29,34)(H,32,35)
InChIKeyFXBKPNYQHNPCIC-UHFFFAOYSA-N
XLogP2.01
TPSA171.48 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 52.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548194
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-4-(2-methoxyethoxy)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548311
6-cyclopropyl-N-[4-(2-methoxyethoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548350
6-cyclopropyl-N-[4-(2-hydroxy-2-methylpropoxy)-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548151
6-cyclopropyl-N-[4-[2-(methylamino)-2-oxoethoxy]-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548216
6-cyclopropyl-N-[3-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548363
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9
CID 57340658
4-[2-(4-methoxyanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 57394291
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
3-[4-(2-Imidazol-1-ylethoxy)phenyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 137649528
3-[4-[2-(2-Methylimidazol-1-yl)ethoxy]phenyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 137650424

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548236) is 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CC(C)(O)CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is FXBKPNYQHNPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O5/c1-25(2,36)13-29-23(34)18-9-17(37-8-7-33)5-6-19(18)32-24(35)21-22(30-16-10-26-14-27-11-16)28-12-20(31-21)15-3-4-15/h5-6,9-12,14-15,33,36H,3-4,7-8,13H2,1-2H3,(H,28,30)(H,29,34)(H,32,35).
What are the key properties of 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?
6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 2.01, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(2-hydroxyethoxy)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).