4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

C10H14N6O — CID 112685187

IUPAC4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)c2nncn2C)n1
InChIInChI=1S/C10H14N6O/c1-7(9-15-12-6-16(9)2)13-10-11-5-4-8(14-10)17-3/h4-7H,1-3H3,(H,11,13,14)
InChIKeySOEXCPJXJOLIJI-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.79
Rot. Bonds4

About 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine

4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 112685187) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID112685187
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1ccnc(NC(C)c2nncn2C)n1
InChIInChI=1S/C10H14N6O/c1-7(9-15-12-6-16(9)2)13-10-11-5-4-8(14-10)17-3/h4-7H,1-3H3,(H,11,13,14)
InChIKeySOEXCPJXJOLIJI-UHFFFAOYSA-N
XLogP0.79
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propan-2-yloxypyrimidin-2-amine
CID 115974911
4,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine
CID 62117357
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]pyrimidin-2-amine
CID 112637352
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,5-diamine
CID 62118630
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
4-methoxy-N-[(1S)-1-naphthalen-1-ylethyl]pyrimidin-2-amine
CID 26006023
6-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63589349
6-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
CID 63586359
3-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66276448
6-ethoxy-2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80822860
4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine (CID 112685187) is 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is COc1ccnc(NC(C)c2nncn2C)n1.
What is the InChIKey of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is SOEXCPJXJOLIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-7(9-15-12-6-16(9)2)13-10-11-5-4-8(14-10)17-3/h4-7H,1-3H3,(H,11,13,14).
What are the key properties of 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine?
4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112685187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).