2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

C15H24N4O2 — CID 143871205

IUPAC2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCOC2)nc(CC(CC)CC)[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-3-10(4-2)7-13-18-14(12(8-16)15(20)19-13)17-11-5-6-21-9-11/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20)/b16-8+
InChIKeyHBODGFYQVQVRPJ-LZYBPNLTSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds7

About 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one

2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 143871205) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID143871205
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCOC2)nc(CC(CC)CC)[nH]c1=O
InChIInChI=1S/C15H24N4O2/c1-3-10(4-2)7-13-18-14(12(8-16)15(20)19-13)17-11-5-6-21-9-11/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20)/b16-8+
InChIKeyHBODGFYQVQVRPJ-LZYBPNLTSA-N
XLogP1.95
TPSA90.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one (CID 143871205) is 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is [H]/N=C/c1c(NC2CCOC2)nc(CC(CC)CC)[nH]c1=O.
What is the InChIKey of 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is HBODGFYQVQVRPJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-10(4-2)7-13-18-14(12(8-16)15(20)19-13)17-11-5-6-21-9-11/h8,10-11,16H,3-7,9H2,1-2H3,(H2,17,18,19,20)/b16-8+.
What are the key properties of 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one?
2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 292.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutyl)-5-methanimidoyl-4-(oxolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 143871205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).