2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide

C13H16N6O — CID 72837337

IUPAC2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2cnc(C)cn2)cn1
InChIInChI=1S/C13H16N6O/c1-3-14-13-18-5-10(6-19-13)12(20)17-8-11-7-15-9(2)4-16-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,14,18,19)
InChIKeyRVXBWXCRHFPDPH-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.94
Rot. Bonds5

About 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72837337) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72837337
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCc2cnc(C)cn2)cn1
InChIInChI=1S/C13H16N6O/c1-3-14-13-18-5-10(6-19-13)12(20)17-8-11-7-15-9(2)4-16-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,14,18,19)
InChIKeyRVXBWXCRHFPDPH-UHFFFAOYSA-N
XLogP0.94
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide (CID 72837337) is 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCc2cnc(C)cn2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RVXBWXCRHFPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-3-14-13-18-5-10(6-19-13)12(20)17-8-11-7-15-9(2)4-16-11/h4-7H,3,8H2,1-2H3,(H,17,20)(H,14,18,19).
What are the key properties of 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72837337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).