6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 12512057

IUPAC6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(C)C
InChIInChI=1S/C8H12N2O2/c1-4(2)6-5(3)9-8(12)10-7(6)11/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyQCJGYHGJRIDHDA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.50
Rot. Bonds1

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

6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 12512057) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID12512057
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(C)C
InChIInChI=1S/C8H12N2O2/c1-4(2)6-5(3)9-8(12)10-7(6)11/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyQCJGYHGJRIDHDA-UHFFFAOYSA-N
XLogP0.50
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Uracil, 5-allyl-6-methyl-
CID 824910
Uracil, 5-ethyl-6-methyl-
CID 202538
5-Acetyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 7131306
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
Uracil, 5-butyl-6-propyl-
CID 3063172
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
Uracil, 5-(2-bromoethyl)-6-methyl-
CID 147314
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-1-methyl-6-propyl-
CID 129939632
pyrimidine-2,4(1H,3H)-dione, 5-ethyl-3-methyl-6-propyl-
CID 130005194

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione (CID 12512057) is 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is QCJGYHGJRIDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-5(3)9-8(12)10-7(6)11/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione?
6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12512057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).