6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine

C16H21FN4 — CID 80749797

IUPAC6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-7-6-8-14(17)9-13/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyPDPAGELYCLSHQJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.30
Rot. Bonds5

About 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80749797) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80749797
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCNc1nc(C)nc(N(C)Cc2cccc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-7-6-8-14(17)9-13/h6-9H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyPDPAGELYCLSHQJ-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
6-N-ethyl-4-N-(4-fluorophenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80816769
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271583
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
6-N-ethyl-4-N,5-dimethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986270
5-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80932991
6-hydrazinyl-N,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 80932334
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
2-N-ethyl-4-N,5-dimethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794156
2-[(3-fluorophenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 62703512

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80749797) is 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine is CCNc1nc(C)nc(N(C)Cc2cccc(F)c2)c1C.
What is the InChIKey of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is PDPAGELYCLSHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-18-15-11(2)16(20-12(3)19-15)21(4)10-13-7-6-8-14(17)9-13/h6-9H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 288.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80749797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).