5-butyl-2-(ethylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 21488451

IUPAC5-butyl-2-(ethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cnc(NCC)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-5-6-8-7-12-10(11-4-2)13-9(8)14/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyUZYKLBHVWPNVRT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.54
Rot. Bonds5

About 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one

5-butyl-2-(ethylamino)-1H-pyrimidin-6-one (PubChem CID 21488451) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-(ethylamino)-1H-pyrimidin-6-one
PubChem CID21488451
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-butyl-2-(ethylamino)-1H-pyrimidin-6-one
SMILESCCCCc1cnc(NCC)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-5-6-8-7-12-10(11-4-2)13-9(8)14/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyUZYKLBHVWPNVRT-UHFFFAOYSA-N
XLogP1.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethirimol
CID 135424354
4-Pyrimidinol, 5-butyl-
CID 3025547
4-Pyrimidinol, 5-hexyl-
CID 3025551
4(1H)-Pyrimidinone, 2-amino-5-propyl-
CID 147275
4(1H)-Pyrimidinone, 2-amino-5-butyl-
CID 147276
4(1H)-Pyrimidinone, 2-amino-5-hexyl-
CID 147277
4(1H)-Pyrimidinone, 2-amino-5-octyl-
CID 147278
2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 21488452
5-Butyl-2-(dimethylamino)-3-methyl-1,2-dihydropyrimidin-6-one
CID 21488454
2-(diethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 58091021
5-pentyl-1H-pyrimidin-6-one
CID 67435856
5-Butan-2-yl-2-(cyclohexylmethylamino)-3-methylpyrimidin-4-one
CID 68317404

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one (CID 21488451) is 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one is CCCCc1cnc(NCC)[nH]c1=O.
What is the InChIKey of 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is UZYKLBHVWPNVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-5-6-8-7-12-10(11-4-2)13-9(8)14/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one?
5-butyl-2-(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 21488451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).