3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione

C8H13N3O2 — CID 3511582

IUPAC3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione
SMILESCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-4-9-6-5-7(12)11(2)8(13)10-6/h5,9H,3-4H2,1-2H3,(H,10,13)
InChIKeyQWDGVQIOXMTEAX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.10
Rot. Bonds3

About 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione

3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione (PubChem CID 3511582) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione
PubChem CID3511582
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione
SMILESCCCNc1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-4-9-6-5-7(12)11(2)8(13)10-6/h5,9H,3-4H2,1-2H3,(H,10,13)
InChIKeyQWDGVQIOXMTEAX-UHFFFAOYSA-N
XLogP-0.10
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione (CID 3511582) is 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione is CCCNc1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is QWDGVQIOXMTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-4-9-6-5-7(12)11(2)8(13)10-6/h5,9H,3-4H2,1-2H3,(H,10,13).
What are the key properties of 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione?
3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(propylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3511582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).