N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine

C17H20F3N5 — CID 171996048

IUPACN,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(Cc3ccc(C(F)(F)F)nc3)C2)n1
InChIInChI=1S/C17H20F3N5/c1-12-5-7-21-16(23-12)24(2)14-6-8-25(11-14)10-13-3-4-15(22-9-13)17(18,19)20/h3-5,7,9,14H,6,8,10-11H2,1-2H3
InChIKeyISRAAUWTOPWCOD-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.91
Rot. Bonds4

About N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine

N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171996048) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171996048
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC NameN,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCc1ccnc(N(C)C2CCN(Cc3ccc(C(F)(F)F)nc3)C2)n1
InChIInChI=1S/C17H20F3N5/c1-12-5-7-21-16(23-12)24(2)14-6-8-25(11-14)10-13-3-4-15(22-9-13)17(18,19)20/h3-5,7,9,14H,6,8,10-11H2,1-2H3
InChIKeyISRAAUWTOPWCOD-UHFFFAOYSA-N
XLogP2.91
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172893331
(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-amine
CID 125439521
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
2-N,4-N,4-N-trimethyl-2-N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171995509
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
2-N,4-N,4-N-trimethyl-2-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998751
N-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 172882405
N-[1-[(2-bromophenyl)methyl]piperidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998484
N-methyl-N-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998714
4-methoxy-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998706
N-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]-4-methoxy-N-methylpyrimidin-2-amine
CID 172893375

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 171996048) is N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine is Cc1ccnc(N(C)C2CCN(Cc3ccc(C(F)(F)F)nc3)C2)n1.
What is the InChIKey of N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is ISRAAUWTOPWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5/c1-12-5-7-21-16(23-12)24(2)14-6-8-25(11-14)10-13-3-4-15(22-9-13)17(18,19)20/h3-5,7,9,14H,6,8,10-11H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 351.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171996048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).