5-propan-2-yl-1-propylpyrimidine-2,4-dione

C10H16N2O2 — CID 58592724

IUPAC5-propan-2-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyRXFCDNBFWHDUGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.07
Rot. Bonds3

About 5-propan-2-yl-1-propylpyrimidine-2,4-dione

5-propan-2-yl-1-propylpyrimidine-2,4-dione (PubChem CID 58592724) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-propan-2-yl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-propan-2-yl-1-propylpyrimidine-2,4-dione
PubChem CID58592724
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name5-propan-2-yl-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14)
InChIKeyRXFCDNBFWHDUGZ-UHFFFAOYSA-N
XLogP1.07
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-Ethyl-2,4(1H,3H)-pyrimidinedione
CID 73267
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
5-Isopropyluracil
CID 98575
6-Amino-5-ethyl-1-propylpyrimidine-2,4-dione
CID 2106914
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
CID 592713
5-acetyl-1-allyl-2,4(1H,3H)-pyrimidinedione
CID 1484302
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
1,3-Dimethyl-5-ethyluracil
CID 141656
1-Ethylthymine
CID 5246756
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
pyrimidine-2,4(1H,3H)-dione, 5-tert-butyl-1-methyl-
CID 68250687

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-propan-2-yl-1-propylpyrimidine-2,4-dione (CID 58592724) is 5-propan-2-yl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-propan-2-yl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-propan-2-yl-1-propylpyrimidine-2,4-dione is CCCn1cc(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-1-propylpyrimidine-2,4-dione?
The InChIKey is RXFCDNBFWHDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-12-6-8(7(2)3)9(13)11-10(12)14/h6-7H,4-5H2,1-3H3,(H,11,13,14).
What are the key properties of 5-propan-2-yl-1-propylpyrimidine-2,4-dione?
5-propan-2-yl-1-propylpyrimidine-2,4-dione has a molecular weight of 196.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 58592724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).