2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine

C13H18N6O — CID 106598687

IUPAC2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)nc(C2CC2)n1
InChIInChI=1S/C13H18N6O/c1-3-6-14-10-7-11(17-12(16-10)9-4-5-9)20-13-15-8-19(2)18-13/h7-9H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyDYSUIAWTVXMXGP-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.10
Rot. Bonds6

About 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine

2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine (PubChem CID 106598687) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
PubChem CID106598687
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ncn(C)n2)nc(C2CC2)n1
InChIInChI=1S/C13H18N6O/c1-3-6-14-10-7-11(17-12(16-10)9-4-5-9)20-13-15-8-19(2)18-13/h7-9H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyDYSUIAWTVXMXGP-UHFFFAOYSA-N
XLogP2.10
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
2-cyclopropyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80966037
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
6-(4-chlorophenoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80966029
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
2-cyclopropyl-4-N-(1,3-dimethylpyrazol-4-yl)-6-N-propylpyrimidine-4,6-diamine
CID 102807870
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
2-cyclopropyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80962779

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine (CID 106598687) is 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ncn(C)n2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
The InChIKey is DYSUIAWTVXMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-6-14-10-7-11(17-12(16-10)9-4-5-9)20-13-15-8-19(2)18-13/h7-9H,3-6H2,1-2H3,(H,14,16,17).
What are the key properties of 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine?
2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 106598687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).