5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine

C14H19N4+ — CID 2178

💊View drug profile → amprolium
IUPAC5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1ncc(C[n+]2ccccc2C)c(N)n1
InChIInChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
InChIKeyIPZFPROOBOUEIG-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.66
Rot. Bonds4

About 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine

5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 2178) has the molecular formula C14H19N4+ and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID2178
Molecular FormulaC14H19N4+
Molecular Weight243.33 g/mol
Exact Mass243.16
IUPAC Name5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1ncc(C[n+]2ccccc2C)c(N)n1
InChIInChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
InChIKeyIPZFPROOBOUEIG-UHFFFAOYSA-N
XLogP1.66
TPSA55.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
4-Phenylpyrimidine
CID 18923
Pyrithiamine bromide hydrobromide
CID 10802
2-Amino-4-phenylpyrimidine
CID 598777
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
CID 10803
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 948954
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine (CID 2178) is 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1ncc(C[n+]2ccccc2C)c(N)n1.
What is the InChIKey of 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is IPZFPROOBOUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1.
What are the key properties of 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine?
5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 243.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyridin-1-ium-1-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 2178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).