N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine

C10H16F2N6 — CID 156717740

IUPACN-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNC1CN(c2ncnc(NCC(C)(F)F)n2)C1
InChIInChI=1S/C10H16F2N6/c1-10(11,12)5-14-8-15-6-16-9(17-8)18-3-7(4-18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyCGTFQKANGQHOPY-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.35
Rot. Bonds5

About N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine

N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 156717740) has the molecular formula C10H16F2N6 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID156717740
Molecular FormulaC10H16F2N6
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC NameN-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine
SMILESCNC1CN(c2ncnc(NCC(C)(F)F)n2)C1
InChIInChI=1S/C10H16F2N6/c1-10(11,12)5-14-8-15-6-16-9(17-8)18-3-7(4-18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17)
InChIKeyCGTFQKANGQHOPY-UHFFFAOYSA-N
XLogP0.35
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 153465412
N-(2,2-difluoropropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156220384
N-butyl-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine;2,2-difluoropropan-1-amine;hydrochloride
CID 156220386
4-chloro-6-(3,3-difluoroazetidin-1-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
CID 156423187
4-chloro-6-(3,3-difluoroazetidin-1-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazin-2-amine
CID 156423307
4-chloro-6-(3,3-difluoroazetidin-1-yl)-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazin-2-amine
CID 156423308
4-(1,4-diazepan-1-yl)-N-(2,2-difluoropropyl)-1,3,5-triazin-2-amine
CID 156717762
4-N-propan-2-yl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 175731939
2-N,2-N,6-N-trimethyl-4-N-(4,4,4-trifluorobutan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 105941219
2-N,2-N-dimethyl-6-N-propyl-4-N-(4,4,4-trifluorobutan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 105941271
6-N-ethyl-2-N,2-N-dimethyl-4-N-(4,4,4-trifluorobutan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 105941330
2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 130921265

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine (CID 156717740) is N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine is CNC1CN(c2ncnc(NCC(C)(F)F)n2)C1.
What is the InChIKey of N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is CGTFQKANGQHOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N6/c1-10(11,12)5-14-8-15-6-16-9(17-8)18-3-7(4-18)13-2/h6-7,13H,3-5H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine?
N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-4-[3-(methylamino)azetidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 156717740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).