6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C13H14ClFN4 — CID 19767698

IUPAC6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(Cl)cc(NCc2ccccc2F)n1
InChIInChI=1S/C13H14ClFN4/c1-19(2)13-17-11(14)7-12(18-13)16-8-9-5-3-4-6-10(9)15/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyICLSTAOETIHPIN-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.95
Rot. Bonds4

About 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 19767698) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID19767698
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nc(Cl)cc(NCc2ccccc2F)n1
InChIInChI=1S/C13H14ClFN4/c1-19(2)13-17-11(14)7-12(18-13)16-8-9-5-3-4-6-10(9)15/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyICLSTAOETIHPIN-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 19767698) is 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1nc(Cl)cc(NCc2ccccc2F)n1.
What is the InChIKey of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is ICLSTAOETIHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-19(2)13-17-11(14)7-12(18-13)16-8-9-5-3-4-6-10(9)15/h3-7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 280.73 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 19767698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).