1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

C14H19FN6 — CID 134069036

IUPAC1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2ncc(F)cn2)Cc2nccn2C1
InChIInChI=1S/C14H19FN6/c1-19(2)7-11-8-20-4-3-16-13(20)10-21(9-11)14-17-5-12(15)6-18-14/h3-6,11H,7-10H2,1-2H3
InChIKeyLMFXWBLODLCFFD-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.01
Rot. Bonds3

About 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine

1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (PubChem CID 134069036) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
PubChem CID134069036
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2ncc(F)cn2)Cc2nccn2C1
InChIInChI=1S/C14H19FN6/c1-19(2)7-11-8-20-4-3-16-13(20)10-21(9-11)14-17-5-12(15)6-18-14/h3-6,11H,7-10H2,1-2H3
InChIKeyLMFXWBLODLCFFD-UHFFFAOYSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
2-[2-(2-methoxypyrimidin-5-yl)-1H-imidazol-1-yl]-N,N-dimethylethanamine
CID 56869757
8-(5-Fluoropyrimidin-2-yl)-3-(imidazol-1-ylmethyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 97519736
5-Fluoro-2-imidazol-1-ylpyrimidine
CID 115749868
2-(2-Methyl-1H-imidazol-1-YL)pyrimidine
CID 11974107
N~2~,N~4~,N~4~,5-tetramethyl-N~2~-[3-(1-methyl-1H-imidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 50965651
5-bromo-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]pyrimidin-2-amine
CID 71996281
5-fluoro-N-(3-imidazol-1-ylpropyl)pyrimidin-2-amine
CID 75483060
1-(1-ethyl-1H-imidazol-2-yl)-N-[(2-isopropylpyrimidin-5-yl)methyl]-N-methylmethanamine
CID 77084406
1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
CID 97466934
5-fluoro-2-(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)pyrimidine
CID 121020774
1-[[8-(5-Fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 131654700

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine (CID 134069036) is 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(c2ncc(F)cn2)Cc2nccn2C1.
What is the InChIKey of 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
The InChIKey is LMFXWBLODLCFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-19(2)7-11-8-20-4-3-16-13(20)10-21(9-11)14-17-5-12(15)6-18-14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine?
1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine has a molecular weight of 290.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134069036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).