4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

C16H27FN4 — CID 80838986

IUPAC4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H27FN4/c1-5-10-18-15-19-11-13(17)14(20-15)21(4)12-6-8-16(2,3)9-7-12/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIKUWMRNQBAAFNX-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.84
Rot. Bonds5

About 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80838986) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID80838986
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(N(C)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C16H27FN4/c1-5-10-18-15-19-11-13(17)14(20-15)21(4)12-6-8-16(2,3)9-7-12/h11-12H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyIKUWMRNQBAAFNX-UHFFFAOYSA-N
XLogP3.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
5-fluoro-4-N-methyl-2-N-propyl-4-N-(thiolan-3-yl)pyrimidine-2,4-diamine
CID 80783482
5-fluoro-4-N-methyl-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80800040
5-fluoro-4-N,4-N-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80765312
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(oxan-4-yl)pyrimidine-2,4-diamine
CID 80789928
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
4-N-(cyclohexylmethyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799427
5-fluoro-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80792326
5-fluoro-4-N-methyl-4-N-pentan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80792483
4-N-(3,5-dimethylphenyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80795202
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
4-N-butan-2-yl-4-N-ethyl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80782815

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine (CID 80838986) is 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(N(C)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IKUWMRNQBAAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-5-10-18-15-19-11-13(17)14(20-15)21(4)12-6-8-16(2,3)9-7-12/h11-12H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 294.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-5-fluoro-4-N-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80838986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).