5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C15H17ClN2O3 — CID 83953060

IUPAC5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-8(2)21-13-5-4-10(7-12(13)16)6-11-9(3)17-15(20)18-14(11)19/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19,20)
InChIKeyRDBIMSVXDYWWCI-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.40
Rot. Bonds4

About 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 83953060) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID83953060
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-8(2)21-13-5-4-10(7-12(13)16)6-11-9(3)17-15(20)18-14(11)19/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19,20)
InChIKeyRDBIMSVXDYWWCI-UHFFFAOYSA-N
XLogP2.40
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 2730678
5-[(3-bromo-4-hydroxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952351
5-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 83952471
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
2-amino-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
CID 905989
(3-chloro-4-propan-2-yloxyphenyl)methyl 2-methyl-1H-indole-3-carboxylate
CID 167895013
6-ethyl-5-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 83953879
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
2-[(3-chloro-4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 100523309
(2S)-1-[(3-chloro-4-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996926
N-[(E)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 110526383

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 83953060) is 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is RDBIMSVXDYWWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-8(2)21-13-5-4-10(7-12(13)16)6-11-9(3)17-15(20)18-14(11)19/h4-5,7-8H,6H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 308.77 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-propan-2-yloxyphenyl)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83953060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).