4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine

C16H21FN4 — CID 80777490

IUPAC4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-4-9-18-16-19-10-12(2)15(20-16)21(3)11-13-5-7-14(17)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20)
InChIKeyGMTYXLNPGUGQAB-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.38
Rot. Bonds6

About 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80777490) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80777490
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(C)c(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C16H21FN4/c1-4-9-18-16-19-10-12(2)15(20-16)21(3)11-13-5-7-14(17)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20)
InChIKeyGMTYXLNPGUGQAB-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80750096
4-N-benzyl-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80753731
4-N,5-dimethyl-2-N-propyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 80787782
2-N-ethyl-4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80764683
4-N-benzyl-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753808
4-N,5-dimethyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80799465
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80794458
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-[2-(dimethylamino)ethyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845865
4-N,5-dimethyl-4-N-(2-phenylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80829683
4-N,5-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80831497
4-N-[3-(dimethylamino)propyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80845968

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine (CID 80777490) is 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(C)c(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is GMTYXLNPGUGQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-4-9-18-16-19-10-12(2)15(20-16)21(3)11-13-5-7-14(17)8-6-13/h5-8,10H,4,9,11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80777490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).