azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine

C13H17ClN4 — CID 87855847

IUPACazane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)c(-c2cc(Cl)nc(N)n2)c(C)c1.N
InChIInChI=1S/C13H14ClN3.H3N/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)17-13(15)16-10;/h4-6H,1-3H3,(H2,15,16,17);1H3
InChIKeyOPJVVOQCKUUZBS-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.47
Rot. Bonds1

About azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine

azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine (PubChem CID 87855847) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameazane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
PubChem CID87855847
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Nameazane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)c(-c2cc(Cl)nc(N)n2)c(C)c1.N
InChIInChI=1S/C13H14ClN3.H3N/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)17-13(15)16-10;/h4-6H,1-3H3,(H2,15,16,17);1H3
InChIKeyOPJVVOQCKUUZBS-UHFFFAOYSA-N
XLogP3.47
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The IUPAC name of azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine (CID 87855847) is azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine is Cc1cc(C)c(-c2cc(Cl)nc(N)n2)c(C)c1.N.
What is the InChIKey of azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The InChIKey is OPJVVOQCKUUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3.H3N/c1-7-4-8(2)12(9(3)5-7)10-6-11(14)17-13(15)16-10;/h4-6H,1-3H3,(H2,15,16,17);1H3.
What are the key properties of azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine has a molecular weight of 264.76 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloro-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 87855847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).