N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

C19H32N4O2 — CID 46997998

IUPACN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(C)(C)CN2CCCCCC2)c(=O)n1
InChIInChI=1S/C19H32N4O2/c1-15-13-16(2)23(18(25)20-15)12-9-17(24)21-19(3,4)14-22-10-7-5-6-8-11-22/h13H,5-12,14H2,1-4H3,(H,21,24)
InChIKeyPGOCYASGMKHZHN-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.02
Rot. Bonds6

About N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 46997998) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID46997998
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC(C)(C)CN2CCCCCC2)c(=O)n1
InChIInChI=1S/C19H32N4O2/c1-15-13-16(2)23(18(25)20-15)12-9-17(24)21-19(3,4)14-22-10-7-5-6-8-11-22/h13H,5-12,14H2,1-4H3,(H,21,24)
InChIKeyPGOCYASGMKHZHN-UHFFFAOYSA-N
XLogP2.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 46983590
4-tert-butyl-6-[(4-cyclopentyl-1,4-diazepan-1-yl)carbonyl]pyrimidin-2(1H)-one
CID 77085987
1-[(6-Isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]-2-methyl-1,4-diazepan-5-one
CID 90651122
(2R)-2-methyl-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1,4-diazepan-5-one
CID 100065685
(2S)-2-methyl-1-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-1,4-diazepan-5-one
CID 100065686
1-acetyl-N-methyl-4-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 110107513
(6R)-1-acetyl-N-methyl-4-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124962225
(6S)-1-acetyl-N-methyl-4-(6-methyl-2-oxo-1H-pyrimidine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124962226
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(3-methylpentanoyl)azepan-4-yl]acetamide
CID 154876164
N,6-dimethyl-N-[1-(1-methylcyclopropanecarbonyl)azepan-3-yl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 167885653
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 168046353
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(7-oxo-1-propylazepan-4-yl)propanamide
CID 177888168

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (CID 46997998) is N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NC(C)(C)CN2CCCCCC2)c(=O)n1.
What is the InChIKey of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is PGOCYASGMKHZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-13-16(2)23(18(25)20-15)12-9-17(24)21-19(3,4)14-22-10-7-5-6-8-11-22/h13H,5-12,14H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 348.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 46997998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).