N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide

C17H30N6O — CID 77084809

IUPACN,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
SMILESCC(C)Nc1ncc(CN2CCCN(CC(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H30N6O/c1-14(2)20-17-18-10-15(11-19-17)12-22-6-5-7-23(9-8-22)13-16(24)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3,(H,18,19,20)
InChIKeyJHSBULBZKSCFOR-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.89
Rot. Bonds6

About N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide

N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 77084809) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
PubChem CID77084809
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide
SMILESCC(C)Nc1ncc(CN2CCCN(CC(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H30N6O/c1-14(2)20-17-18-10-15(11-19-17)12-22-6-5-7-23(9-8-22)13-16(24)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3,(H,18,19,20)
InChIKeyJHSBULBZKSCFOR-UHFFFAOYSA-N
XLogP0.89
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110008124
N-propan-2-yl-5-(thiomorpholin-4-ylmethyl)pyrimidin-2-amine
CID 77092688
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
N-propan-2-yl-5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]pyrimidin-2-amine
CID 77096467
[(3R,4S)-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 70726968
2-[4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 70744337
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227500
N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
2-[2-(propan-2-ylamino)pyrimidin-5-yl]acetic acid
CID 84666078
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46403514

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide (CID 77084809) is N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide is CC(C)Nc1ncc(CN2CCCN(CC(=O)N(C)C)CC2)cn1.
What is the InChIKey of N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is JHSBULBZKSCFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-14(2)20-17-18-10-15(11-19-17)12-22-6-5-7-23(9-8-22)13-16(24)21(3)4/h10-11,14H,5-9,12-13H2,1-4H3,(H,18,19,20).
What are the key properties of N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide?
N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 334.47 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[[2-(propan-2-ylamino)pyrimidin-5-yl]methyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 77084809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).