N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine

C19H21F3N4 — CID 171998396

IUPACN-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C2CC2)C2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H21F3N4/c20-19(21,22)17-8-10-23-18(24-17)26(15-6-7-15)16-9-11-25(13-16)12-14-4-2-1-3-5-14/h1-5,8,10,15-16H,6-7,9,11-13H2
InChIKeyALHVOCNBYQFKFO-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.74
Rot. Bonds5

About N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine

N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171998396) has the molecular formula C19H21F3N4 and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171998396
Molecular FormulaC19H21F3N4
Molecular Weight362.40 g/mol
Exact Mass362.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(N(C2CC2)C2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C19H21F3N4/c20-19(21,22)17-8-10-23-18(24-17)26(15-6-7-15)16-9-11-25(13-16)12-14-4-2-1-3-5-14/h1-5,8,10,15-16H,6-7,9,11-13H2
InChIKeyALHVOCNBYQFKFO-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999625
N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999634
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 172892045
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172893142
N-benzyl-N-(2-chloroethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64586828
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-methyl-N-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998714

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 171998396) is N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(N(C2CC2)C2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ALHVOCNBYQFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4/c20-19(21,22)17-8-10-23-18(24-17)26(15-6-7-15)16-9-11-25(13-16)12-14-4-2-1-3-5-14/h1-5,8,10,15-16H,6-7,9,11-13H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 362.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171998396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).