4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one

C10H17N3O2 — CID 136958104

IUPAC4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CCCO)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)9-7-10(15)12-8(2)11-9/h7,14H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyPCSQBYRBHPYFLB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds5

About 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958104) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136958104
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN(CCCO)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)9-7-10(15)12-8(2)11-9/h7,14H,3-6H2,1-2H3,(H,11,12,15)
InChIKeyPCSQBYRBHPYFLB-UHFFFAOYSA-N
XLogP0.29
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136958104) is 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one is CCN(CCCO)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PCSQBYRBHPYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13(5-4-6-14)9-7-10(15)12-8(2)11-9/h7,14H,3-6H2,1-2H3,(H,11,12,15).
What are the key properties of 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(3-hydroxypropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).