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

C8H12N2O2 — CID 89411807

IUPAC5-methyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-3-4-6-5(2)7(11)10-8(12)9-6/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyPBLWANFFTCKXSM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.32
Rot. Bonds2

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

5-methyl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 89411807) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-methyl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID89411807
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-methyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1[nH]c(=O)[nH]c(=O)c1C
InChIInChI=1S/C8H12N2O2/c1-3-4-6-5(2)7(11)10-8(12)9-6/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyPBLWANFFTCKXSM-UHFFFAOYSA-N
XLogP0.32
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyluracil
CID 96031
Uracil, 5-allyl-6-methyl-
CID 824910
Uracil, 5-ethyl-6-methyl-
CID 202538
6-Tert-butylpyrimidine-2,4-diol
CID 817312
5-Acetyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 7131306
6-(3-Hydroxypropyl)thymine
CID 1865
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-allyl-3,6-dimethyl-
CID 3021699
Uracil, 3,6-dimethyl-5-propyl-
CID 3021709

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-propyl-1H-pyrimidine-2,4-dione (CID 89411807) is 5-methyl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-propyl-1H-pyrimidine-2,4-dione is CCCc1[nH]c(=O)[nH]c(=O)c1C.
What is the InChIKey of 5-methyl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is PBLWANFFTCKXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-6-5(2)7(11)10-8(12)9-6/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-methyl-6-propyl-1H-pyrimidine-2,4-dione?
5-methyl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 89411807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).