4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

C10H17N3O2 — CID 136957602

IUPAC4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(CCO)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-13(5-6-14)9-7-10(15)12-8-11-9/h7-8,14H,2-6H2,1H3,(H,11,12,15)
InChIKeyIVDXOFKVMJUNEM-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.37
Rot. Bonds6

About 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957602) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136957602
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESCCCCN(CCO)c1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O2/c1-2-3-4-13(5-6-14)9-7-10(15)12-8-11-9/h7-8,14H,2-6H2,1H3,(H,11,12,15)
InChIKeyIVDXOFKVMJUNEM-UHFFFAOYSA-N
XLogP0.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136957602) is 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is CCCCN(CCO)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IVDXOFKVMJUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-3-4-13(5-6-14)9-7-10(15)12-8-11-9/h7-8,14H,2-6H2,1H3,(H,11,12,15).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).