4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one

C12H21N3O3 — CID 136704103

IUPAC4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H21N3O3/c1-3-4-9(5-6-16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyPQEJDSTWNXCLLL-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.99
Rot. Bonds8

About 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one

4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136704103) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136704103
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H21N3O3/c1-3-4-9(5-6-16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17)
InChIKeyPQEJDSTWNXCLLL-UHFFFAOYSA-N
XLogP0.99
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136704103) is 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one is CCCC(CCO)CNc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PQEJDSTWNXCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-9(5-6-16)7-13-11-10(18-2)12(17)15-8-14-11/h8-9,16H,3-7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 255.32 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136704103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).