(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide

C15H26N4O3 — CID 90230592

IUPAC(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
SMILESCNC(=O)CC[C@H](C)CC1=NC(=O)CC(=O)N1CCN(C)C
InChIInChI=1S/C15H26N4O3/c1-11(5-6-13(20)16-2)9-12-17-14(21)10-15(22)19(12)8-7-18(3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyUJSPQTOYCKJSJZ-NSHDSACASA-N
MW310.40 g/mol
LogP0.26
Rot. Bonds8

About (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide

(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide (PubChem CID 90230592) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
PubChem CID90230592
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
SMILESCNC(=O)CC[C@H](C)CC1=NC(=O)CC(=O)N1CCN(C)C
InChIInChI=1S/C15H26N4O3/c1-11(5-6-13(20)16-2)9-12-17-14(21)10-15(22)19(12)8-7-18(3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1
InChIKeyUJSPQTOYCKJSJZ-NSHDSACASA-N
XLogP0.26
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[(3R)-2,6-dioxo-1,5-diazacycloundec-3-yl]propyl]propanimidamide
CID 68011955
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
N-[(2-butyl-1-ethyl-4-methyl-5-oxoimidazol-4-yl)methyl]cyclopentanecarboxamide
CID 170592534
(2R,4S)-2-(dimethylamino)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide
CID 173787804
2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76175609
2-[(propan-2-ylamino)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998019
2-(1-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998055
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998105
2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998159
2-(1-piperazin-1-ylpropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998221
2-(3-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998269

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide?
The IUPAC name of (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide (CID 90230592) is (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide.
What is the SMILES notation for (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide?
The canonical SMILES for (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide is CNC(=O)CC[C@H](C)CC1=NC(=O)CC(=O)N1CCN(C)C.
What is the InChIKey of (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide?
The InChIKey is UJSPQTOYCKJSJZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O3/c1-11(5-6-13(20)16-2)9-12-17-14(21)10-15(22)19(12)8-7-18(3)4/h11H,5-10H2,1-4H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide?
(4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide has a molecular weight of 310.40 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-[1-[2-(dimethylamino)ethyl]-4,6-dioxopyrimidin-2-yl]-N,4-dimethylpentanamide is sourced from PubChem (CID 90230592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).