6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione

C10H15ClN2O2 — CID 104830824

IUPAC6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(n1c(=O)cc(Cl)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C10H15ClN2O2/c1-6(10(2,3)4)13-8(14)5-7(11)12-9(13)15/h5-6H,1-4H3,(H,12,15)
InChIKeySYDVXGZUGNVBAT-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.80
Rot. Bonds1

About 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione

6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 104830824) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID104830824
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione
SMILESCC(n1c(=O)cc(Cl)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C10H15ClN2O2/c1-6(10(2,3)4)13-8(14)5-7(11)12-9(13)15/h5-6H,1-4H3,(H,12,15)
InChIKeySYDVXGZUGNVBAT-UHFFFAOYSA-N
XLogP1.80
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione 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

6-hydrazinyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 102537359
1-(3,3-dimethylbutan-2-yl)-2,4-dimethyl-6-oxopyridine-3-carboxylic acid
CID 104829790
6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione;(1S)-1-(2,6-difluorophenyl)ethanamine;6-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione;chloride
CID 163920184
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123
6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 67265851
6-[(3-chlorophenyl)methylamino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 146334434
3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
CID 122239190
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-2,4-dione
CID 122239201
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
CID 10620646
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
CID 114250798
6-chloro-3-piperidin-4-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 174989220

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione (CID 104830824) is 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione is CC(n1c(=O)cc(Cl)[nH]c1=O)C(C)(C)C.
What is the InChIKey of 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SYDVXGZUGNVBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-6(10(2,3)4)13-8(14)5-7(11)12-9(13)15/h5-6H,1-4H3,(H,12,15).
What are the key properties of 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 230.69 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,3-dimethylbutan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 104830824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).