4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine

C13H20N6O — CID 115974911

IUPAC4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C13H20N6O/c1-8(2)20-11-6-9(3)15-13(17-11)16-10(4)12-18-14-7-19(12)5/h6-8,10H,1-5H3,(H,15,16,17)
InChIKeyLDSASECFRRPNSD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.87
Rot. Bonds5

About 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine

4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115974911) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115974911
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NC(C)c2nncn2C)n1
InChIInChI=1S/C13H20N6O/c1-8(2)20-11-6-9(3)15-13(17-11)16-10(4)12-18-14-7-19(12)5/h6-8,10H,1-5H3,(H,15,16,17)
InChIKeyLDSASECFRRPNSD-UHFFFAOYSA-N
XLogP1.87
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
4-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80902877
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 112685187
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 81061348
N-[1-(2-fluorophenyl)ethyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974766
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine (CID 115974911) is 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NC(C)c2nncn2C)n1.
What is the InChIKey of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is LDSASECFRRPNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8(2)20-11-6-9(3)15-13(17-11)16-10(4)12-18-14-7-19(12)5/h6-8,10H,1-5H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine?
4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115974911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).