6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine

C20H28FN5 — CID 141223810

IUPAC6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC(NCc3ccc(F)cc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C20H28FN5/c1-14-23-19(12-20(24-14)26(2)3)25-18-10-8-17(9-11-18)22-13-15-4-6-16(21)7-5-15/h4-7,12,17-18,22H,8-11,13H2,1-3H3,(H,23,24,25)
InChIKeyNEMCSTLGULMFQT-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.50
Rot. Bonds6

About 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine

6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 141223810) has the molecular formula C20H28FN5 and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID141223810
Molecular FormulaC20H28FN5
Molecular Weight357.48 g/mol
Exact Mass357.23
IUPAC Name6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(NC2CCC(NCc3ccc(F)cc3)CC2)cc(N(C)C)n1
InChIInChI=1S/C20H28FN5/c1-14-23-19(12-20(24-14)26(2)3)25-18-10-8-17(9-11-18)22-13-15-4-6-16(21)7-5-15/h4-7,12,17-18,22H,8-11,13H2,1-3H3,(H,23,24,25)
InChIKeyNEMCSTLGULMFQT-UHFFFAOYSA-N
XLogP3.50
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine (CID 141223810) is 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is Cc1nc(NC2CCC(NCc3ccc(F)cc3)CC2)cc(N(C)C)n1.
What is the InChIKey of 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is NEMCSTLGULMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5/c1-14-23-19(12-20(24-14)26(2)3)25-18-10-8-17(9-11-18)22-13-15-4-6-16(21)7-5-15/h4-7,12,17-18,22H,8-11,13H2,1-3H3,(H,23,24,25).
What are the key properties of 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine?
6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 357.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-[(4-fluorophenyl)methylamino]cyclohexyl]-4-N,4-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 141223810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).