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

C16H24N6 — CID 131660477

IUPACN-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine
SMILESCC(C)N(C)CC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H24N6/c1-13(2)20(3)9-14-10-21-8-7-17-15(21)12-22(11-14)16-18-5-4-6-19-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyXNZWWKRIDBCTHW-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.65
Rot. Bonds4

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

N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine (PubChem CID 131660477) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine
PubChem CID131660477
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC NameN-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine
SMILESCC(C)N(C)CC1CN(c2ncccn2)Cc2nccn2C1
InChIInChI=1S/C16H24N6/c1-13(2)20(3)9-14-10-21-8-7-17-15(21)12-22(11-14)16-18-5-4-6-19-16/h4-8,13-14H,9-12H2,1-3H3
InChIKeyXNZWWKRIDBCTHW-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine with MolForge

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Related Compounds

4-Pyrimidinamine, N-cyclopropyl-2-(1H-imidazol-1-yl)-N-methyl-, monohydrochloride
CID 3071749
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
2-{4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidin-1-yl}pyrimidine
CID 71691577
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
N-methyl-N-[[8-(5-methylpyrimidin-2-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-3-yl]methyl]propan-2-amine
CID 97410168
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-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739688
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-(1-cyclopentyl-1H-imidazol-2-yl)-N,N-dimethylpyrimidin-2-amine
CID 56750335
N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 75377478

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine (CID 131660477) is N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine is CC(C)N(C)CC1CN(c2ncccn2)Cc2nccn2C1.
What is the InChIKey of N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine?
The InChIKey is XNZWWKRIDBCTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-13(2)20(3)9-14-10-21-8-7-17-15(21)12-22(11-14)16-18-5-4-6-19-16/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine?
N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine has a molecular weight of 300.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(8-pyrimidin-2-yl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]propan-2-amine is sourced from PubChem (CID 131660477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).