6-chloro-5-ethyl-2-methylpyrimidin-4-amine

C7H10ClN3 — CID 24975133

IUPAC6-chloro-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C7H10ClN3/c1-3-5-6(8)10-4(2)11-7(5)9/h3H2,1-2H3,(H2,9,10,11)
InChIKeyVBXOUZPBRXJPNW-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.58
Rot. Bonds1

About 6-chloro-5-ethyl-2-methylpyrimidin-4-amine

6-chloro-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 24975133) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 6-chloro-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID24975133
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name6-chloro-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1c(N)nc(C)nc1Cl
InChIInChI=1S/C7H10ClN3/c1-3-5-6(8)10-4(2)11-7(5)9/h3H2,1-2H3,(H2,9,10,11)
InChIKeyVBXOUZPBRXJPNW-UHFFFAOYSA-N
XLogP1.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-2-methylpyrimidin-4-amine (CID 24975133) is 6-chloro-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-2-methylpyrimidin-4-amine is CCc1c(N)nc(C)nc1Cl.
What is the InChIKey of 6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is VBXOUZPBRXJPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-3-5-6(8)10-4(2)11-7(5)9/h3H2,1-2H3,(H2,9,10,11).
What are the key properties of 6-chloro-5-ethyl-2-methylpyrimidin-4-amine?
6-chloro-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 24975133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).