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

C10H13ClN6 — CID 63728175

IUPAC6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1nncn1C
InChIInChI=1S/C10H13ClN6/c1-3-7-9(11)13-5-14-10(7)12-4-8-16-15-6-17(8)2/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPKUXAPPVBXBYMV-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.43
Rot. Bonds4

About 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (PubChem CID 63728175) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
PubChem CID63728175
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1nncn1C
InChIInChI=1S/C10H13ClN6/c1-3-7-9(11)13-5-14-10(7)12-4-8-16-15-6-17(8)2/h5-6H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyPKUXAPPVBXBYMV-UHFFFAOYSA-N
XLogP1.43
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine (CID 63728175) is 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1nncn1C.
What is the InChIKey of 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is PKUXAPPVBXBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-3-7-9(11)13-5-14-10(7)12-4-8-16-15-6-17(8)2/h5-6H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 252.71 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 63728175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).