4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine

C14H17FN4 — CID 80762346

IUPAC4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cc(F)ccc1C
InChIInChI=1S/C14H17FN4/c1-3-4-11-13(16)17-8-18-14(11)19-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCMQPWWMDHOUYRO-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.20
Rot. Bonds4

About 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine

4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80762346) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80762346
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1Nc1cc(F)ccc1C
InChIInChI=1S/C14H17FN4/c1-3-4-11-13(16)17-8-18-14(11)19-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19)
InChIKeyCMQPWWMDHOUYRO-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-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

Related Compounds

3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
4-N-(2,5-difluorophenyl)-6-N-ethyl-5-propylpyrimidine-4,6-diamine
CID 80748963
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
3-N-(5-fluoro-2-methylphenyl)pyrazine-2,3-diamine
CID 102985191
4-N-(4-chloro-2-methoxy-5-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80736789

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine (CID 80762346) is 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1Nc1cc(F)ccc1C.
What is the InChIKey of 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is CMQPWWMDHOUYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-4-11-13(16)17-8-18-14(11)19-12-7-10(15)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine?
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).