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

C16H24N6 — CID 131661913

IUPACN-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H24N6/c1-3-20(4-2)10-14-11-21-9-8-17-15(21)13-22(12-14)16-18-6-5-7-19-16/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeySXMPTHTXGPKTLT-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.65
Rot. Bonds5

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

N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine (PubChem CID 131661913) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine
PubChem CID131661913
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H24N6/c1-3-20(4-2)10-14-11-21-9-8-17-15(21)13-22(12-14)16-18-6-5-7-19-16/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeySXMPTHTXGPKTLT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine with MolForge

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Related Compounds

4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
2-chloro-4-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 62343269
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
2-{4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyrimidine
CID 70756171
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
4-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 72915735
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
6-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-8-(5-methylpyrimidin-2-yl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine (CID 131661913) is N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine is CCN(CC)CC1CN(c2ncccn2)Cc2nccn2C1.
What is the InChIKey of N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine?
The InChIKey is SXMPTHTXGPKTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-20(4-2)10-14-11-21-9-8-17-15(21)13-22(12-14)16-18-6-5-7-19-16/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine?
N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine has a molecular weight of 300.41 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]ethanamine is sourced from PubChem (CID 131661913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).