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

C17H23FN4 — CID 112908693

IUPAC4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2F)nc(NCC(C)C)n1
InChIInChI=1S/C17H23FN4/c1-12(2)11-20-17-21-13(3)10-16(22-17)19-9-8-14-6-4-5-7-15(14)18/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyAFOJYSZJOJWDQR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.65
Rot. Bonds7

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

4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112908693) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112908693
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCc2ccccc2F)nc(NCC(C)C)n1
InChIInChI=1S/C17H23FN4/c1-12(2)11-20-17-21-13(3)10-16(22-17)19-9-8-14-6-4-5-7-15(14)18/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21,22)
InChIKeyAFOJYSZJOJWDQR-UHFFFAOYSA-N
XLogP3.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-[2-(2-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908501
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
4-N-(4-chlorophenyl)-2-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920686
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908546
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
N-[4-[[4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112920611
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
2-N-[4-(diethylamino)phenyl]-4-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920616
2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 110383463
2-N-benzyl-4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112920555
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112908693) is 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is Cc1cc(NCCc2ccccc2F)nc(NCC(C)C)n1.
What is the InChIKey of 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is AFOJYSZJOJWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-12(2)11-20-17-21-13(3)10-16(22-17)19-9-8-14-6-4-5-7-15(14)18/h4-7,10,12H,8-9,11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 302.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).