6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine

C15H18ClFN4 — CID 82459523

IUPAC6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H18ClFN4/c1-9(2)7-12-20-14(16)13(18)15(21-12)19-8-10-3-5-11(17)6-4-10/h3-6,9H,7-8,18H2,1-2H3,(H,19,20,21)
InChIKeyQVEVLLZXAXCGKA-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.66
Rot. Bonds5

About 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459523) has the molecular formula C15H18ClFN4 and a molecular weight of 308.79 g/mol. Its IUPAC name is 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459523
Molecular FormulaC15H18ClFN4
Molecular Weight308.79 g/mol
Exact Mass308.12
IUPAC Name6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NCc2ccc(F)cc2)n1
InChIInChI=1S/C15H18ClFN4/c1-9(2)7-12-20-14(16)13(18)15(21-12)19-8-10-3-5-11(17)6-4-10/h3-6,9H,7-8,18H2,1-2H3,(H,19,20,21)
InChIKeyQVEVLLZXAXCGKA-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455541
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-chloro-2-(methoxymethyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82459444
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(2-methylpropyl)pyrimidin-4-amine
CID 82458000
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346
4-N-[(4-fluorophenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455219
N-[[7-chloro-4-[(4-fluorophenyl)methylamino]quinazolin-2-yl]methyl]propane-2-sulfonamide
CID 26335244
3-chloro-N-[(4-fluorophenyl)methyl]quinoxalin-2-amine
CID 47001610
4-N-[[4-(aminomethyl)phenyl]methyl]-6-chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 130234648
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459523) is 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NCc2ccc(F)cc2)n1.
What is the InChIKey of 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is QVEVLLZXAXCGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4/c1-9(2)7-12-20-14(16)13(18)15(21-12)19-8-10-3-5-11(17)6-4-10/h3-6,9H,7-8,18H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 308.79 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).