1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

C14H19FN6 — CID 97466934

IUPAC1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2n1CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C14H19FN6/c1-19(2)10-12-9-16-13-3-4-20(5-6-21(12)13)14-17-7-11(15)8-18-14/h7-9H,3-6,10H2,1-2H3
InChIKeyZFKDRWIGDBLQQS-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.94
Rot. Bonds3

About 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine

1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (PubChem CID 97466934) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
PubChem CID97466934
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2n1CCN(c1ncc(F)cn1)CC2
InChIInChI=1S/C14H19FN6/c1-19(2)10-12-9-16-13-3-4-20(5-6-21(12)13)14-17-7-11(15)8-18-14/h7-9H,3-6,10H2,1-2H3
InChIKeyZFKDRWIGDBLQQS-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-dimethyl-6-N-[(7-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]pyrimidine-4,6-diamine
CID 97467288
6-N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 98616956
2-(2-Methyl-1H-imidazol-1-YL)pyrimidine
CID 11974107
8-[5,6-Dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 56888386
5-fluoro-2-(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)pyrimidine
CID 121020774
1-(1-isobutyl-1H-imidazol-5-yl)-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131907392
1-[8-(5-fluoropyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]-N,N-dimethylmethanamine
CID 134069036
6-Fluoro-2-methylimidazo[1,2-a]pyrimidine
CID 68265700
5-(3-Propan-2-ylimidazol-3-ium-1-yl)-2-(trifluoromethyl)pyrimidine;iodide
CID 132189781
5-Fluoro-2-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 141123766
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-methylimidazole-2-carbonitrile
CID 162356475
2-(Bromomethyl)-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrimidine
CID 165400965

Frequently Asked Questions

What is the IUPAC name of 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine (CID 97466934) is 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1cnc2n1CCN(c1ncc(F)cn1)CC2.
What is the InChIKey of 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ZFKDRWIGDBLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-19(2)10-12-9-16-13-3-4-20(5-6-21(12)13)14-17-7-11(15)8-18-14/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine?
1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 290.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(5-fluoropyrimidin-2-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).