6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

C15H17Cl2N3 — CID 80970081

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3/c1-9(2)14-19-13(17)10(3)15(20-14)18-8-11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyCAYHCORTJQMCPR-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.83
Rot. Bonds4

About 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80970081) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80970081
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1NCc1ccc(Cl)cc1
InChIInChI=1S/C15H17Cl2N3/c1-9(2)14-19-13(17)10(3)15(20-14)18-8-11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,19,20)
InChIKeyCAYHCORTJQMCPR-UHFFFAOYSA-N
XLogP4.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80970081) is 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1NCc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CAYHCORTJQMCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-9(2)14-19-13(17)10(3)15(20-14)18-8-11-4-6-12(16)7-5-11/h4-7,9H,8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80970081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).