4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine

C10H14N6 — CID 114690986

IUPAC4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cnnn2C)n1
InChIInChI=1S/C10H14N6/c1-3-5-11-10-12-6-4-8(14-10)9-7-13-15-16(9)2/h4,6-7H,3,5H2,1-2H3,(H,11,12,14)
InChIKeySWBLVWQQHHTWNK-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.09
Rot. Bonds4

About 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine

4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine (PubChem CID 114690986) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine
PubChem CID114690986
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(-c2cnnn2C)n1
InChIInChI=1S/C10H14N6/c1-3-5-11-10-12-6-4-8(14-10)9-7-13-15-16(9)2/h4,6-7H,3,5H2,1-2H3,(H,11,12,14)
InChIKeySWBLVWQQHHTWNK-UHFFFAOYSA-N
XLogP1.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-imidazo[1,2-a]pyridin-5-yl-N-propylpyrimidin-2-amine
CID 102627307
4-(5-methyl-3-pyridinyl)-N-propylpyrimidin-2-amine
CID 115375546
4-(4-bromopyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 80853897
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
2-tert-butyl-5-methyl-6-(3-methyltriazol-4-yl)-N-propylpyrimidin-4-amine
CID 114690885
4-(7-methyl-1-benzofuran-2-yl)-N-propylpyrimidin-2-amine
CID 114734607
4-(2,5-dimethylpyrazol-3-yl)oxy-N-propylpyrimidin-2-amine
CID 81346031
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
N-propyl-4-(1,3,5-trimethylpyrazol-4-yl)oxypyrimidin-2-amine
CID 80877277
4-(3-chloro-4-fluorophenyl)-N-propylpyrimidin-2-amine
CID 113324799
N-propyl-4-quinolin-7-ylpyrimidin-2-amine
CID 81221832

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine (CID 114690986) is 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2cnnn2C)n1.
What is the InChIKey of 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine?
The InChIKey is SWBLVWQQHHTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-3-5-11-10-12-6-4-8(14-10)9-7-13-15-16(9)2/h4,6-7H,3,5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine?
4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyltriazol-4-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 114690986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).