6-butyl-5-methyl-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 15721967

IUPAC6-butyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-3-4-5-7-6(2)8(12)11-9(13)10-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyCOHVVYNFRLDMND-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.71
Rot. Bonds3

About 6-butyl-5-methyl-1H-pyrimidine-2,4-dione

6-butyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 15721967) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-butyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-butyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID15721967
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-butyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O2/c1-3-4-5-7-6(2)8(12)11-9(13)10-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyCOHVVYNFRLDMND-UHFFFAOYSA-N
XLogP0.71
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 5-allyl-6-methyl-
CID 824910
5-(Heptafluoropropyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2063410
Uracil, 5-ethyl-6-methyl-
CID 202538
5-Acetyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 7131306
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidine-2,4(1h,3h)-dione
CID 251461
6-ethyl-5-tetradecyl-1H-pyrimidine-2,4-dione
CID 9884215
Uracil, 5-butyl-6-methyl-
CID 207254
Uracil, 3,6-dimethyl-5-ethyl-
CID 3021669
Uracil, 6-methyl-5-propyl-
CID 3025420
Uracil, 5-butyl-6-ethyl-
CID 3062839
6-Pentylpyrimidine-2,4(1h,3h)-dione
CID 265697
Uracil, 3,6-dimethyl-5-propyl-
CID 3021709

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-butyl-5-methyl-1H-pyrimidine-2,4-dione (CID 15721967) is 6-butyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-butyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-butyl-5-methyl-1H-pyrimidine-2,4-dione is CCCCc1[nH]c(=O)[nH]c(=O)c1C.
What is the InChIKey of 6-butyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is COHVVYNFRLDMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-7-6(2)8(12)11-9(13)10-7/h3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 6-butyl-5-methyl-1H-pyrimidine-2,4-dione?
6-butyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 15721967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).