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

C16H17F3N4 — CID 122282471

IUPAC6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)13-5-3-4-12(8-13)10-20-14-9-15(22-11-21-14)23-6-1-2-7-23/h3-5,8-9,11H,1-2,6-7,10H2,(H,20,21,22)
InChIKeySDKHHURUDZNRLM-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.71
Rot. Bonds4

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

6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 122282471) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID122282471
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C16H17F3N4/c17-16(18,19)13-5-3-4-12(8-13)10-20-14-9-15(22-11-21-14)23-6-1-2-7-23/h3-5,8-9,11H,1-2,6-7,10H2,(H,20,21,22)
InChIKeySDKHHURUDZNRLM-UHFFFAOYSA-N
XLogP3.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
1-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 166248370
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
6-(2-amino-5-piperidin-1-ylphenyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrimidin-4-amine
CID 67511856
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297696
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 122282471) is 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1cccc(CNc2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is SDKHHURUDZNRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c17-16(18,19)13-5-3-4-12(8-13)10-20-14-9-15(22-11-21-14)23-6-1-2-7-23/h3-5,8-9,11H,1-2,6-7,10H2,(H,20,21,22).
What are the key properties of 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 322.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 122282471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).