N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C19H19F5N4 — CID 171999634

IUPACN-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)cc1F
InChIInChI=1S/C19H19F5N4/c20-15-4-1-12(9-16(15)21)10-27-8-6-14(11-27)28(13-2-3-13)18-25-7-5-17(26-18)19(22,23)24/h1,4-5,7,9,13-14H,2-3,6,8,10-11H2
InChIKeyFZMQPQXNWTUWQT-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.02
Rot. Bonds5

About N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171999634) has the molecular formula C19H19F5N4 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171999634
Molecular FormulaC19H19F5N4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC NameN-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFc1ccc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)cc1F
InChIInChI=1S/C19H19F5N4/c20-15-4-1-12(9-16(15)21)10-27-8-6-14(11-27)28(13-2-3-13)18-25-7-5-17(26-18)19(22,23)24/h1,4-5,7,9,13-14H,2-3,6,8,10-11H2
InChIKeyFZMQPQXNWTUWQT-UHFFFAOYSA-N
XLogP4.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998396
N-cyclopropyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999625
4-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 172901558
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 100699222
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901801
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
N-cyclopropyl-N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171997652
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
1-[(3,4-difluorophenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918627
4-chloro-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 87761886
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 171999634) is N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Fc1ccc(CN2CCC(N(c3nccc(C(F)(F)F)n3)C3CC3)C2)cc1F.
What is the InChIKey of N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is FZMQPQXNWTUWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N4/c20-15-4-1-12(9-16(15)21)10-27-8-6-14(11-27)28(13-2-3-13)18-25-7-5-17(26-18)19(22,23)24/h1,4-5,7,9,13-14H,2-3,6,8,10-11H2.
What are the key properties of N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 398.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171999634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).