4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C16H23F2N7O — CID 133344704

IUPAC4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)Cc2nccn2C(F)F)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H23F2N7O/c1-23(11-12-19-7-10-25(12)13(17)18)14-20-15(22-16(21-14)26-2)24-8-5-3-4-6-9-24/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyPYVMYLPNZVZUIA-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.49
Rot. Bonds6

About 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 133344704) has the molecular formula C16H23F2N7O and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID133344704
Molecular FormulaC16H23F2N7O
Molecular Weight367.40 g/mol
Exact Mass367.19
IUPAC Name4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(N(C)Cc2nccn2C(F)F)nc(N2CCCCCC2)n1
InChIInChI=1S/C16H23F2N7O/c1-23(11-12-19-7-10-25(12)13(17)18)14-20-15(22-16(21-14)26-2)24-8-5-3-4-6-9-24/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyPYVMYLPNZVZUIA-UHFFFAOYSA-N
XLogP2.49
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60500196
4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
CID 124510374
1-(4-imidazol-1-yl-6-methoxy-1,3,5-triazin-2-yl)azepane
CID 30106396
1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
CID 133486119
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
N'-hydroxy-2-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethanimidamide
CID 6323887
2-iodo-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 143257916
4-methoxy-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 729324
[1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384627
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoro-5-methoxy-N-methyl-2-nitroaniline
CID 75379404
5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898537

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 133344704) is 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(N(C)Cc2nccn2C(F)F)nc(N2CCCCCC2)n1.
What is the InChIKey of 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is PYVMYLPNZVZUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N7O/c1-23(11-12-19-7-10-25(12)13(17)18)14-20-15(22-16(21-14)26-2)24-8-5-3-4-6-9-24/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 367.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133344704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).