4-chloro-N-ethyl-6-methylpyrimidin-2-amine

C7H10ClN3 — CID 53385563

IUPAC4-chloro-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-3-9-7-10-5(2)4-6(8)11-7/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyDDUVDNODUDMZLU-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.87
Rot. Bonds2

About 4-chloro-N-ethyl-6-methylpyrimidin-2-amine

4-chloro-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 53385563) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID53385563
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name4-chloro-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-3-9-7-10-5(2)4-6(8)11-7/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyDDUVDNODUDMZLU-UHFFFAOYSA-N
XLogP1.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-methylpyrimidin-2-amine (CID 53385563) is 4-chloro-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(Cl)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is DDUVDNODUDMZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-3-9-7-10-5(2)4-6(8)11-7/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 4-chloro-N-ethyl-6-methylpyrimidin-2-amine?
4-chloro-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 171.63 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 53385563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).