N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

C13H21FN4 — CID 114045714

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCN(c1ncnc(C)c1F)C1CCCC1CN
InChIInChI=1S/C13H21FN4/c1-3-18(11-6-4-5-10(11)7-15)13-12(14)9(2)16-8-17-13/h8,10-11H,3-7,15H2,1-2H3
InChIKeyBQGIRDAHYNWLND-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 114045714) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID114045714
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCN(c1ncnc(C)c1F)C1CCCC1CN
InChIInChI=1S/C13H21FN4/c1-3-18(11-6-4-5-10(11)7-15)13-12(14)9(2)16-8-17-13/h8,10-11H,3-7,15H2,1-2H3
InChIKeyBQGIRDAHYNWLND-UHFFFAOYSA-N
XLogP1.88
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-methoxy-5-methylpyrimidin-4-amine
CID 66333560
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-6-methylsulfanylpyrimidin-4-amine
CID 106973266
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propoxypyrimidin-4-amine
CID 66333196
3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514923
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-propan-2-yloxypyrimidin-4-amine
CID 66332429
N-[2-(aminomethyl)cyclopentyl]-5-tert-butyl-N-ethylpyridin-2-amine
CID 107875127
[2-[(5-fluoro-6-methylpyrimidin-4-yl)oxymethyl]cyclopentyl]methanamine
CID 114045814
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732667
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine (CID 114045714) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is CCN(c1ncnc(C)c1F)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is BQGIRDAHYNWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-3-18(11-6-4-5-10(11)7-15)13-12(14)9(2)16-8-17-13/h8,10-11H,3-7,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 252.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 114045714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).