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

C16H17F3N4 — CID 112868540

IUPAC2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1
InChIInChI=1S/C16H17F3N4/c1-11-20-14(10-15(21-11)23-7-2-3-8-23)22-13-6-4-5-12(9-13)16(17,18)19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21,22)
InChIKeyKIRWRSCTNXFPCS-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.15
Rot. Bonds3

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

2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 112868540) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID112868540
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1
InChIInChI=1S/C16H17F3N4/c1-11-20-14(10-15(21-11)23-7-2-3-8-23)22-13-6-4-5-12(9-13)16(17,18)19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21,22)
InChIKeyKIRWRSCTNXFPCS-UHFFFAOYSA-N
XLogP4.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
N-(3-chlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868516
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363719
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 70674991
4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
6-(azepan-1-yl)-N-(2,6-difluorophenyl)-2-methylpyrimidin-4-amine
CID 112876851
N-(3,5-dichlorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868580
N-(3-chloro-4-fluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868898
(3R)-1-[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975965
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
2-methyl-N-(3-methylphenyl)-6-piperazin-1-ylpyrimidin-4-amine
CID 99987500

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 112868540) is 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCCC2)n1.
What is the InChIKey of 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is KIRWRSCTNXFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-11-20-14(10-15(21-11)23-7-2-3-8-23)22-13-6-4-5-12(9-13)16(17,18)19/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,21,22).
What are the key properties of 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 322.33 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112868540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).