6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide

C17H16N8O — CID 165415358

IUPAC6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncn1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C17H16N8O/c26-17(22-7-12-3-4-18-10-23-12)15-16(24-13-5-19-9-20-6-13)21-8-14(25-15)11-1-2-11/h3-6,8-11H,1-2,7H2,(H,21,24)(H,22,26)
InChIKeyOLVZVMSIOGTQNE-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.61
Rot. Bonds6

About 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 165415358) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID165415358
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1ccncn1)c1nc(C2CC2)cnc1Nc1cncnc1
InChIInChI=1S/C17H16N8O/c26-17(22-7-12-3-4-18-10-23-12)15-16(24-13-5-19-9-20-6-13)21-8-14(25-15)11-1-2-11/h3-6,8-11H,1-2,7H2,(H,21,24)(H,22,26)
InChIKeyOLVZVMSIOGTQNE-UHFFFAOYSA-N
XLogP1.61
TPSA118.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide (CID 165415358) is 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1ccncn1)c1nc(C2CC2)cnc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is OLVZVMSIOGTQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c26-17(22-7-12-3-4-18-10-23-12)15-16(24-13-5-19-9-20-6-13)21-8-14(25-15)11-1-2-11/h3-6,8-11H,1-2,7H2,(H,21,24)(H,22,26).
What are the key properties of 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide?
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 165415358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).