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

C13H21FN4 — CID 80840792

IUPAC4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCC1CCC(Nc2nc(NC)ncc2F)C1C
InChIInChI=1S/C13H21FN4/c1-4-9-5-6-11(8(9)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyJLZZXCQLVZOBQT-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.89
Rot. Bonds4

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

4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80840792) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80840792
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
SMILESCCC1CCC(Nc2nc(NC)ncc2F)C1C
InChIInChI=1S/C13H21FN4/c1-4-9-5-6-11(8(9)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyJLZZXCQLVZOBQT-UHFFFAOYSA-N
XLogP2.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.89
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 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine (CID 80840792) is 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is CCC1CCC(Nc2nc(NC)ncc2F)C1C.
What is the InChIKey of 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is JLZZXCQLVZOBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-4-9-5-6-11(8(9)2)17-12-10(14)7-16-13(15-3)18-12/h7-9,11H,4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine?
4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 252.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-2-methylcyclopentyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80840792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).