2-chloro-N,5,6-trimethylpyrimidin-4-amine

C7H10ClN3 — CID 82460587

IUPAC2-chloro-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(C)c1C
InChIInChI=1S/C7H10ClN3/c1-4-5(2)10-7(8)11-6(4)9-3/h1-3H3,(H,9,10,11)
InChIKeyPSSIQHOBDCHHJO-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.79
Rot. Bonds1

About 2-chloro-N,5,6-trimethylpyrimidin-4-amine

2-chloro-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 82460587) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-chloro-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,5,6-trimethylpyrimidin-4-amine
PubChem CID82460587
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name2-chloro-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(Cl)nc(C)c1C
InChIInChI=1S/C7H10ClN3/c1-4-5(2)10-7(8)11-6(4)9-3/h1-3H3,(H,9,10,11)
InChIKeyPSSIQHOBDCHHJO-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N,5,6-trimethylpyrimidin-4-amine (CID 82460587) is 2-chloro-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(Cl)nc(C)c1C.
What is the InChIKey of 2-chloro-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is PSSIQHOBDCHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4-5(2)10-7(8)11-6(4)9-3/h1-3H3,(H,9,10,11).
What are the key properties of 2-chloro-N,5,6-trimethylpyrimidin-4-amine?
2-chloro-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 171.63 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 82460587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).