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

C19H23F3N4O2 — CID 172892045

IUPACN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(CN2CCC(N(C)c3nccc(C(F)(F)F)n3)C2)c1OC
InChIInChI=1S/C19H23F3N4O2/c1-25(18-23-9-7-16(24-18)19(20,21)22)14-8-10-26(12-14)11-13-5-4-6-15(27-2)17(13)28-3/h4-7,9,14H,8,10-12H2,1-3H3
InChIKeyRPBHUHONFLVBSX-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.22
Rot. Bonds6

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

N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 172892045) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID172892045
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC NameN-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1cccc(CN2CCC(N(C)c3nccc(C(F)(F)F)n3)C2)c1OC
InChIInChI=1S/C19H23F3N4O2/c1-25(18-23-9-7-16(24-18)19(20,21)22)14-8-10-26(12-14)11-13-5-4-6-15(27-2)17(13)28-3/h4-7,9,14H,8,10-12H2,1-3H3
InChIKeyRPBHUHONFLVBSX-UHFFFAOYSA-N
XLogP3.22
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171995951
4-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 172903250
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963
N-methyl-N-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998714
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
N,4-dimethyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998410
N,4-dimethyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171996048
2-N,2-N,4-N-trimethyl-4-N-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 175651595
2-N,4-N,4-N-trimethyl-2-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171996483
4-methoxy-N-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]pyrimidin-2-amine
CID 171998710
N-(1-benzylpyrrolidin-3-yl)-N-cyclopropyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 171998396
3-tert-butyl-5-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92552733

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine (CID 172892045) is N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is COc1cccc(CN2CCC(N(C)c3nccc(C(F)(F)F)n3)C2)c1OC.
What is the InChIKey of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RPBHUHONFLVBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-25(18-23-9-7-16(24-18)19(20,21)22)14-8-10-26(12-14)11-13-5-4-6-15(27-2)17(13)28-3/h4-7,9,14H,8,10-12H2,1-3H3.
What are the key properties of N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 396.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 172892045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).