2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine

C14H23FN4 — CID 80840897

IUPAC2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCC(CC)C2C)n1
InChIInChI=1S/C14H23FN4/c1-4-10-6-7-12(9(10)3)18-13-11(15)8-17-14(19-13)16-5-2/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyNRNARBIVFNQDHD-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.28
Rot. Bonds5

About 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine

2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 80840897) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID80840897
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC2CCC(CC)C2C)n1
InChIInChI=1S/C14H23FN4/c1-4-10-6-7-12(9(10)3)18-13-11(15)8-17-14(19-13)16-5-2/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyNRNARBIVFNQDHD-UHFFFAOYSA-N
XLogP3.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Iodo-N4-(trans-4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 68354812
5-fluoro-N~4~-methyl-N~2~-[(1S*,3aS*,6aS*)-octahydropentalen-1-yl]pyrimidine-2,4-diamine
CID 70734972
2-N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 95874852
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoropyrimidin-2-amine
CID 112703113
5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
2-N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 125439178
5-fluoro-N~4~-methyl-N~2~-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]pyrimidine-2,4-diamine diformate
CID 131896948
2-N-(dicyclopropylmethyl)-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 132412414
2-N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 164636021
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 171359425
4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008581
4-N-[(3S)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008788

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine (CID 80840897) is 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine is CCNc1ncc(F)c(NC2CCC(CC)C2C)n1.
What is the InChIKey of 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is NRNARBIVFNQDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-4-10-6-7-12(9(10)3)18-13-11(15)8-17-14(19-13)16-5-2/h8-10,12H,4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine?
2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 80840897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).