2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

C13H22FN7 — CID 156717757

IUPAC2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(CF)CC3)n2)C1
InChIInChI=1S/C13H22FN7/c1-16-9-2-5-21(6-9)12-19-10(15)18-11(20-12)17-8-13(7-14)3-4-13/h9,16H,2-8H2,1H3,(H3,15,17,18,19,20)/t9-/m1/s1
InChIKeyJJMXWFPFNKTKIP-SECBINFHSA-N
MW295.37 g/mol
LogP0.41
Rot. Bonds6

About 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine

2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717757) has the molecular formula C13H22FN7 and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID156717757
Molecular FormulaC13H22FN7
Molecular Weight295.37 g/mol
Exact Mass295.19
IUPAC Name2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(CF)CC3)n2)C1
InChIInChI=1S/C13H22FN7/c1-16-9-2-5-21(6-9)12-19-10(15)18-11(20-12)17-8-13(7-14)3-4-13/h9,16H,2-8H2,1H3,(H3,15,17,18,19,20)/t9-/m1/s1
InChIKeyJJMXWFPFNKTKIP-SECBINFHSA-N
XLogP0.41
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine 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

2-N-(2,2-difluoropropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220310
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazin-2-amine
CID 156220320
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazin-2-amine
CID 156220334
2-N-(3,3-difluorocyclobutyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220345
2-N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717723
2-N-(2-fluoro-2-methylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717725
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
CID 156717735
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 156717736
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717739
2-N-[(2,2-difluorocyclopropyl)methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717751
2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717768
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717769

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 156717757) is 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NCC3(CF)CC3)n2)C1.
What is the InChIKey of 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JJMXWFPFNKTKIP-SECBINFHSA-N. The full InChI is InChI=1S/C13H22FN7/c1-16-9-2-5-21(6-9)12-19-10(15)18-11(20-12)17-8-13(7-14)3-4-13/h9,16H,2-8H2,1H3,(H3,15,17,18,19,20)/t9-/m1/s1.
What are the key properties of 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 295.37 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(fluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).