2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine

C13H19F2N3 — CID 114224917

IUPAC2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1ncc(C)cn1
InChIInChI=1S/C13H19F2N3/c1-9-7-17-12(18-8-9)11(16-2)5-10-3-4-13(14,15)6-10/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyIIYHXSKFWDPQQU-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine (PubChem CID 114224917) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
PubChem CID114224917
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
SMILESCNC(CC1CCC(F)(F)C1)c1ncc(C)cn1
InChIInChI=1S/C13H19F2N3/c1-9-7-17-12(18-8-9)11(16-2)5-10-3-4-13(14,15)6-10/h7-8,10-11,16H,3-6H2,1-2H3
InChIKeyIIYHXSKFWDPQQU-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[rel-(3R,4S)-3-amino-4-cyclopropyl-1-pyrrolidinyl]methyl}-N-ethyl-2-pyrimidinamine dihydrochloride
CID 72860282
2-Cyclohexyl-1-(pyrimidin-2-yl)ethan-1-amine hydrochloride
CID 145867387
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
1-[5-(Trifluoromethyl)pyrimidin-2-yl]ethan-1-aminehydrochloride
CID 167311280
1-(5-(Trifluoromethyl)pyrimidin-2-yl)ethan-1-amine dihydrochloride
CID 167724087
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747
2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-N,N,5-trimethyl-4-pyrimidinamine
CID 72913368
2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]pyrimidin-4-amine
CID 86801063
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoropyrimidin-2-amine
CID 112703113
3-cyclopentyl-N-[(2-ethylpyrimidin-5-yl)methyl]-N-methylpropan-1-amine
CID 129613098
(Cyclopentylmethyl)[(2-isopropylpyrimidin-5-yl)methyl]methylamine
CID 131927079
1-[(2R)-1-ethylpiperidin-2-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 164636442

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine (CID 114224917) is 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine is CNC(CC1CCC(F)(F)C1)c1ncc(C)cn1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
The InChIKey is IIYHXSKFWDPQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-9-7-17-12(18-8-9)11(16-2)5-10-3-4-13(14,15)6-10/h7-8,10-11,16H,3-6H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine has a molecular weight of 255.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 114224917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).