N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine

C16H17F3N4 — CID 72859087

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(N[C@H]2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)15-20-8-6-14(22-15)21-13-7-9-23(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2,(H,20,21,22)/t13-/m0/s1
InChIKeyLVUICLFSYRFYCN-ZDUSSCGKSA-N
MW322.33 g/mol
LogP3.18
Rot. Bonds4

About N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine

N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 72859087) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID72859087
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nccc(N[C@H]2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)15-20-8-6-14(22-15)21-13-7-9-23(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2,(H,20,21,22)/t13-/m0/s1
InChIKeyLVUICLFSYRFYCN-ZDUSSCGKSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-cyclopropyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902746
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 117092145
2-cyclopropyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 133300100
4-N-(1-benzylpyrrolidin-3-yl)-2-methylpyrimidine-4,6-diamine
CID 130559123
4-(azepan-1-yl)-N-[(3R)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine
CID 66903517
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 72859087) is N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nccc(N[C@H]2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LVUICLFSYRFYCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17F3N4/c17-16(18,19)15-20-8-6-14(22-15)21-13-7-9-23(11-13)10-12-4-2-1-3-5-12/h1-6,8,13H,7,9-11H2,(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 322.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 72859087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).