1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione

C11H17ClN2O2 — CID 23326877

IUPAC1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCn1c(Cl)cc(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H17ClN2O2/c1-4-5-6-13-9(12)7-10(15)14(8(2)3)11(13)16/h7-8H,4-6H2,1-3H3
InChIKeyUYXIQJXSFKKWHO-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.04
Rot. Bonds4

About 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione

1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione (PubChem CID 23326877) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione
PubChem CID23326877
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione
SMILESCCCCn1c(Cl)cc(=O)n(C(C)C)c1=O
InChIInChI=1S/C11H17ClN2O2/c1-4-5-6-13-9(12)7-10(15)14(8(2)3)11(13)16/h7-8H,4-6H2,1-3H3
InChIKeyUYXIQJXSFKKWHO-UHFFFAOYSA-N
XLogP2.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-1,3-dipropyluracil
CID 855055
6-Chloro-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 820107
6-Chloro-1-isopropyl-3-methylpyrimidine-2,4(1H,3H)-dione
CID 16102869
6-Amino-1,3-dibutyluracil
CID 9991843
6-Chloro-1,3-dipentylpyrimidine-2,4-dione
CID 130246377
6-Chloro-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
CID 4064109
6-Chloro-1,3-diethylpyrimidine-2,4-dione
CID 251408
6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
CID 5282566
1,3-Dibutylpyrimidine-2,4(1H,3H)-dione
CID 71363686
6-chloro-3-propylpyrimidine-2,4(1H,3H)-dione
CID 640846
6-Chloro-3-methyl-1-propyl-2,4(1H,3H)-pyrimidinedione
CID 816933
1-Methyl-3-cyclohexyl-6-chlorouracil
CID 12380590

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione (CID 23326877) is 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione is CCCCn1c(Cl)cc(=O)n(C(C)C)c1=O.
What is the InChIKey of 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is UYXIQJXSFKKWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-4-5-6-13-9(12)7-10(15)14(8(2)3)11(13)16/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione?
1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 244.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-chloro-3-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 23326877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).