N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

C10H14N6S — CID 80882882

IUPACN-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Sc2nncn2C)n1
InChIInChI=1S/C10H14N6S/c1-4-11-9-12-5-7(2)8(14-9)17-10-15-13-6-16(10)3/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyWIZNYHIFMRSINN-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.50
Rot. Bonds4

About N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine

N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80882882) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80882882
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC NameN-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
SMILESCCNc1ncc(C)c(Sc2nncn2C)n1
InChIInChI=1S/C10H14N6S/c1-4-11-9-12-5-7(2)8(14-9)17-10-15-13-6-16(10)3/h5-6H,4H2,1-3H3,(H,11,12,14)
InChIKeyWIZNYHIFMRSINN-UHFFFAOYSA-N
XLogP1.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882353
5-bromo-N-ethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 80882687
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
2-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80822122
N-ethyl-5-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 80893375
3-[2-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80892604
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103333877
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207
5-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 66320751

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine (CID 80882882) is N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is CCNc1ncc(C)c(Sc2nncn2C)n1.
What is the InChIKey of N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is WIZNYHIFMRSINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-4-11-9-12-5-7(2)8(14-9)17-10-15-13-6-16(10)3/h5-6H,4H2,1-3H3,(H,11,12,14).
What are the key properties of N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine?
N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80882882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).