N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H21FN4 — CID 114045871

IUPACN-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCCC2CN)c1F
InChIInChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-10-5-3-4-9(10)6-15/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyQKYFKAYJVAJMES-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.97
Rot. Bonds5

About N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 114045871) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID114045871
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCC2CCCC2CN)c1F
InChIInChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-10-5-3-4-9(10)6-15/h8-10H,2-7,15H2,1H3,(H,16,17,18)
InChIKeyQKYFKAYJVAJMES-UHFFFAOYSA-N
XLogP1.97
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 106127963
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 128981640
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 133419371
6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 167950849
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
N-[[2-(aminomethyl)cyclopentyl]methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105363502
6-ethyl-5-fluoro-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 133419771
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131900530
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133434370
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124881194
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 114045871) is N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCC2CCCC2CN)c1F.
What is the InChIKey of N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is QKYFKAYJVAJMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-2-11-12(14)13(18-8-17-11)16-7-10-5-3-4-9(10)6-15/h8-10H,2-7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 114045871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).