N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

C14H18N6O — CID 107374799

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2ccnc(C)n2)cn1
InChIInChI=1S/C14H18N6O/c1-3-5-16-13-9-17-12(8-18-13)14(21)19-7-11-4-6-15-10(2)20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,18)(H,19,21)
InChIKeyXCNRMMOSJDTPRA-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.33
Rot. Bonds6

About N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374799) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374799
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCc2ccnc(C)n2)cn1
InChIInChI=1S/C14H18N6O/c1-3-5-16-13-9-17-12(8-18-13)14(21)19-7-11-4-6-15-10(2)20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,18)(H,19,21)
InChIKeyXCNRMMOSJDTPRA-UHFFFAOYSA-N
XLogP1.33
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375019
N-(1H-imidazol-2-ylmethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375878
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107376112
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
5-(butylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109272569
N-[(3-fluorophenyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374362
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643
5-[2-(4-methoxyphenoxy)ethylamino]-N-propylpyrazine-2-carboxamide
CID 109270830
N-[2-(4-methoxyphenyl)ethyl]-5-(propylamino)pyrazine-2-carboxamide
CID 109271001

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide (CID 107374799) is N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCc2ccnc(C)n2)cn1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is XCNRMMOSJDTPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-3-5-16-13-9-17-12(8-18-13)14(21)19-7-11-4-6-15-10(2)20-11/h4,6,8-9H,3,5,7H2,1-2H3,(H,16,18)(H,19,21).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).