6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

C11H15ClN6 — CID 103820075

IUPAC6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCc2ncn[nH]2)n1
InChIInChI=1S/C11H15ClN6/c1-3-8-16-10(12)7(2)11(17-8)13-5-4-9-14-6-15-18-9/h6H,3-5H2,1-2H3,(H,13,16,17)(H,14,15,18)
InChIKeyHKNRQEDQGXLTGO-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.77
Rot. Bonds5

About 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 103820075) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID103820075
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NCCc2ncn[nH]2)n1
InChIInChI=1S/C11H15ClN6/c1-3-8-16-10(12)7(2)11(17-8)13-5-4-9-14-6-15-18-9/h6H,3-5H2,1-2H3,(H,13,16,17)(H,14,15,18)
InChIKeyHKNRQEDQGXLTGO-UHFFFAOYSA-N
XLogP1.77
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-5-methyl-2-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195112
6-chloro-2-ethyl-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79555714
6-chloro-2-ethyl-5-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 80717013
3-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrazin-2-amine
CID 106195203
3,5,6-trichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 106195168
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
2,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195152
6-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 114156733
6-chloro-2-ethyl-5-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 79238156
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-5-methyl-N-pent-4-ynylpyrimidin-4-amine
CID 103724872
2-chloro-6-methyl-5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine (CID 103820075) is 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NCCc2ncn[nH]2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is HKNRQEDQGXLTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-3-8-16-10(12)7(2)11(17-8)13-5-4-9-14-6-15-18-9/h6H,3-5H2,1-2H3,(H,13,16,17)(H,14,15,18).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 266.74 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103820075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).