6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C17H27N7O — CID 97390251

IUPAC6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOCCN1CCc2ncc(CNc3cc(N(C)C)ncn3)n2CC1
InChIInChI=1S/C17H27N7O/c1-22(2)17-10-15(20-13-21-17)18-11-14-12-19-16-4-5-23(8-9-25-3)6-7-24(14)16/h10,12-13H,4-9,11H2,1-3H3,(H,18,20,21)
InChIKeyOXWWJKRGDZVWIO-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.86
Rot. Bonds7

About 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 97390251) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID97390251
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCOCCN1CCc2ncc(CNc3cc(N(C)C)ncn3)n2CC1
InChIInChI=1S/C17H27N7O/c1-22(2)17-10-15(20-13-21-17)18-11-14-12-19-16-4-5-23(8-9-25-3)6-7-24(14)16/h10,12-13H,4-9,11H2,1-3H3,(H,18,20,21)
InChIKeyOXWWJKRGDZVWIO-UHFFFAOYSA-N
XLogP0.86
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethyl-3-[6-[4-(morpholin-4-ylmethyl)imidazol-1-yl]pyrimidin-4-yl]thiourea
CID 132520947
N-(2-methoxyethyl)-2-(pyrrolidin-1-yl)pteridin-4-amine
CID 39350414
3-(morpholin-4-ylmethyl)-N-propan-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467065
N-cyclopropyl-3-(morpholin-4-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467066
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
(6S)-1-(4-aminopyrimidin-2-yl)-4-[(3-cyclopropylimidazol-4-yl)methyl]-1,4-diazepan-6-ol
CID 97844674
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;2,2,2-trifluoroacetic acid
CID 118742621
5-fluoro-N~2~-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 137339154
4-N,4-N-dimethyl-6-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylmethyl)pyrimidine-4,6-diamine;2,2,2-trifluoroacetic acid
CID 155831186
N~4~-[(1-isobutyl-1H-imidazol-5-yl)methyl]-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 50958368
N-[[8-[2-(dimethylamino)ethyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrimidin-2-amine
CID 97405482

Frequently Asked Questions

What is the IUPAC name of 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 97390251) is 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is COCCN1CCc2ncc(CNc3cc(N(C)C)ncn3)n2CC1.
What is the InChIKey of 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is OXWWJKRGDZVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-22(2)17-10-15(20-13-21-17)18-11-14-12-19-16-4-5-23(8-9-25-3)6-7-24(14)16/h10,12-13H,4-9,11H2,1-3H3,(H,18,20,21).
What are the key properties of 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 345.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[7-(2-methoxyethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 97390251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).