N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine

C16H24N6 — CID 97466974

IUPACN-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(c1ncccn1)CC2
InChIInChI=1S/C16H24N6/c1-3-20(4-2)13-14-12-19-15-6-9-21(10-11-22(14)15)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3
InChIKeyNWCNDBHJLDBYGE-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine

N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine (PubChem CID 97466974) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine
PubChem CID97466974
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cnc2n1CCN(c1ncccn1)CC2
InChIInChI=1S/C16H24N6/c1-3-20(4-2)13-14-12-19-15-6-9-21(10-11-22(14)15)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3
InChIKeyNWCNDBHJLDBYGE-UHFFFAOYSA-N
XLogP1.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
4-[4-(Pyrrolidin-1-ylmethyl)imidazol-1-yl]pyrimidine
CID 134138572
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
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
N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-3-yl)methyl]propan-2-amine
CID 97405573
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
3-Methylimidazo[1,2-c]pyrimidine
CID 21822687
N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 75377478
1-(1-ethyl-1H-imidazol-2-yl)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 77083052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine (CID 97466974) is N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine is CCN(CC)Cc1cnc2n1CCN(c1ncccn1)CC2.
What is the InChIKey of N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine?
The InChIKey is NWCNDBHJLDBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-20(4-2)13-14-12-19-15-6-9-21(10-11-22(14)15)16-17-7-5-8-18-16/h5,7-8,12H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine?
N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine has a molecular weight of 300.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(7-pyrimidin-2-yl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]ethanamine is sourced from PubChem (CID 97466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).