N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

C14H17N5O — CID 77098018

IUPACN-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C14H17N5O/c1-3-4-13-12(8-15-9-19-13)14(20)18-7-11-6-16-10(2)5-17-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyDEVZYXLUOVYITJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.46
Rot. Bonds5

About N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide

N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 77098018) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
PubChem CID77098018
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCc1cnc(C)cn1
InChIInChI=1S/C14H17N5O/c1-3-4-13-12(8-15-9-19-13)14(20)18-7-11-6-16-10(2)5-17-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,20)
InChIKeyDEVZYXLUOVYITJ-UHFFFAOYSA-N
XLogP1.46
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide (CID 77098018) is N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is DEVZYXLUOVYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-3-4-13-12(8-15-9-19-13)14(20)18-7-11-6-16-10(2)5-17-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,20).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide?
N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 77098018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).