2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine

C14H19N5 — CID 55114573

IUPAC2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)nc(-c2cnccn2)n1
InChIInChI=1S/C14H19N5/c1-10(2)7-16-8-12-6-11(3)18-14(19-12)13-9-15-4-5-17-13/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyQKANDLRLWOJSNH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds5

About 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine

2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 55114573) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID55114573
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCc1cc(CNCC(C)C)nc(-c2cnccn2)n1
InChIInChI=1S/C14H19N5/c1-10(2)7-16-8-12-6-11(3)18-14(19-12)13-9-15-4-5-17-13/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyQKANDLRLWOJSNH-UHFFFAOYSA-N
XLogP1.99
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine (CID 55114573) is 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine is Cc1cc(CNCC(C)C)nc(-c2cnccn2)n1.
What is the InChIKey of 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is QKANDLRLWOJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10(2)7-16-8-12-6-11(3)18-14(19-12)13-9-15-4-5-17-13/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine?
2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-2-pyrazin-2-ylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 55114573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).