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

C13H21F2N7 — CID 156717768

IUPAC2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)F)CC3)n2)C1
InChIInChI=1S/C13H21F2N7/c1-17-8-2-5-22(6-8)12-20-10(16)19-11(21-12)18-7-13(3-4-13)9(14)15/h8-9,17H,2-7H2,1H3,(H3,16,18,19,20,21)/t8-/m1/s1
InChIKeyGMFCPWMRLVHCTB-MRVPVSSYSA-N
MW313.36 g/mol
LogP0.71
Rot. Bonds6

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

2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717768) has the molecular formula C13H21F2N7 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID156717768
Molecular FormulaC13H21F2N7
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC Name2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)F)CC3)n2)C1
InChIInChI=1S/C13H21F2N7/c1-17-8-2-5-22(6-8)12-20-10(16)19-11(21-12)18-7-13(3-4-13)9(14)15/h8-9,17H,2-7H2,1H3,(H3,16,18,19,20,21)/t8-/m1/s1
InChIKeyGMFCPWMRLVHCTB-MRVPVSSYSA-N
XLogP0.71
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3,3-difluorocyclopentyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220309
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
N-(2,2-difluoropropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156220384
6-(1,4-diazepan-1-yl)-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717717
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

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 156717768) is 2-N-[[1-(difluoromethyl)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-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[[1-(difluoromethyl)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(C(F)F)CC3)n2)C1.
What is the InChIKey of 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GMFCPWMRLVHCTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H21F2N7/c1-17-8-2-5-22(6-8)12-20-10(16)19-11(21-12)18-7-13(3-4-13)9(14)15/h8-9,17H,2-7H2,1H3,(H3,16,18,19,20,21)/t8-/m1/s1.
What are the key properties of 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine?
2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 313.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).