2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine

C16H27FN4 — CID 103968638

IUPAC2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CC(C)(C)CC(C)(C)C2)n1
InChIInChI=1S/C16H27FN4/c1-6-18-14-19-9-12(17)13(21-14)20-11-7-15(2,3)10-16(4,5)8-11/h9,11H,6-8,10H2,1-5H3,(H2,18,19,20,21)
InChIKeySEVPPVNNWUTTHL-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.06
Rot. Bonds4

About 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine

2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine (PubChem CID 103968638) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
PubChem CID103968638
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CC(C)(C)CC(C)(C)C2)n1
InChIInChI=1S/C16H27FN4/c1-6-18-14-19-9-12(17)13(21-14)20-11-7-15(2,3)10-16(4,5)8-11/h9,11H,6-8,10H2,1-5H3,(H2,18,19,20,21)
InChIKeySEVPPVNNWUTTHL-UHFFFAOYSA-N
XLogP4.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4,4-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80837855
2-N-ethyl-5-fluoro-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80823338
4-N-(3,3-dimethylcyclopentyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 114542208
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
4-N-(cyclopentylmethyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80783715
3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165271
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287
4-N-(2,2-dimethylbutyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 103466679
4-N-(1,3-dimethylpiperidin-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 114506457
1-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine (CID 103968638) is 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine is CCNc1ncc(F)c(NC2CC(C)(C)CC(C)(C)C2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine?
The InChIKey is SEVPPVNNWUTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-6-18-14-19-9-12(17)13(21-14)20-11-7-15(2,3)10-16(4,5)8-11/h9,11H,6-8,10H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine has a molecular weight of 294.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 103968638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).