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

C9H15N3O2 — CID 2262138

IUPAC1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-4-5-10-7-6-8(13)12(3)9(14)11(7)2/h6,10H,4-5H2,1-3H3
InChIKeyKQHLRFMQDRAHMC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.09
Rot. Bonds3

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

1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione (PubChem CID 2262138) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione
PubChem CID2262138
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione
SMILESCCCNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H15N3O2/c1-4-5-10-7-6-8(13)12(3)9(14)11(7)2/h6,10H,4-5H2,1-3H3
InChIKeyKQHLRFMQDRAHMC-UHFFFAOYSA-N
XLogP-0.09
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Uracil
CID 1174
3-Methyluracil
CID 79066
6-Amino-1,3-dimethyluracil
CID 81152
6-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione
CID 11071
1-Methyluracil
CID 12009
Aminometradine
CID 12551
6-Amino-1,3-dipropyluracil
CID 855055
1-Ethyluracil
CID 4183135
6-Hexylamino-1H-pyrimidine-2,4-dione
CID 44349321
6-amino-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
CID 250735
3-sec-Butyl-6-methyluracil
CID 100019
6-Amino-1-methyluracil
CID 75520

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione (CID 2262138) is 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione is CCCNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione?
The InChIKey is KQHLRFMQDRAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-5-10-7-6-8(13)12(3)9(14)11(7)2/h6,10H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(propylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2262138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).