N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine

C14H18N4 — CID 62744815

IUPACN-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C14H18N4/c1-3-6-15-10-13-8-11(2)17-14(18-13)12-5-4-7-16-9-12/h4-5,7-9,15H,3,6,10H2,1-2H3
InChIKeyJUTHCPZTBBHPMM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.35
Rot. Bonds5

About N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine

N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine (PubChem CID 62744815) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
PubChem CID62744815
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(-c2cccnc2)n1
InChIInChI=1S/C14H18N4/c1-3-6-15-10-13-8-11(2)17-14(18-13)12-5-4-7-16-9-12/h4-5,7-9,15H,3,6,10H2,1-2H3
InChIKeyJUTHCPZTBBHPMM-UHFFFAOYSA-N
XLogP2.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine (CID 62744815) is N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine is CCCNCc1cc(C)nc(-c2cccnc2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine?
The InChIKey is JUTHCPZTBBHPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-6-15-10-13-8-11(2)17-14(18-13)12-5-4-7-16-9-12/h4-5,7-9,15H,3,6,10H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine?
N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62744815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).