N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine

C16H25F3N4 — CID 52567449

IUPACN-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(CC)[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1
InChIInChI=1S/C16H25F3N4/c1-3-12(4-2)13(23-9-5-6-10-23)11-21-15-20-8-7-14(22-15)16(17,18)19/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyHLVLCBBHMUUALT-ZDUSSCGKSA-N
MW330.40 g/mol
LogP3.81
Rot. Bonds7

About N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 52567449) has the molecular formula C16H25F3N4 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID52567449
Molecular FormulaC16H25F3N4
Molecular Weight330.40 g/mol
Exact Mass330.20
IUPAC NameN-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(CC)[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1
InChIInChI=1S/C16H25F3N4/c1-3-12(4-2)13(23-9-5-6-10-23)11-21-15-20-8-7-14(22-15)16(17,18)19/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyHLVLCBBHMUUALT-ZDUSSCGKSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-pyrrolidin-1-ylpentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 71684743
3-ethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 106287283
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 52678059
N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 97208706
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
4,4-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,2-diamine
CID 107159109
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
N-piperidin-1-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113221365
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
3-methyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoic acid
CID 81065475
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103989959

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 52567449) is N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine is CCC(CC)[C@H](CNc1nccc(C(F)(F)F)n1)N1CCCC1.
What is the InChIKey of N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HLVLCBBHMUUALT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25F3N4/c1-3-12(4-2)13(23-9-5-6-10-23)11-21-15-20-8-7-14(22-15)16(17,18)19/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 330.40 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-ethyl-2-pyrrolidin-1-ylpentyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 52567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).