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

C11H18N4O2 — CID 136781041

IUPAC4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC2CCCN2)nc[nH]1
InChIInChI=1S/C11H18N4O2/c16-5-4-15(7-9-2-1-3-12-9)10-6-11(17)14-8-13-10/h6,8-9,12,16H,1-5,7H2,(H,13,14,17)
InChIKeyQSHNJDDRAQLIQY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.68
Rot. Bonds5

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

4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136781041) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136781041
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC2CCCN2)nc[nH]1
InChIInChI=1S/C11H18N4O2/c16-5-4-15(7-9-2-1-3-12-9)10-6-11(17)14-8-13-10/h6,8-9,12,16H,1-5,7H2,(H,13,14,17)
InChIKeyQSHNJDDRAQLIQY-UHFFFAOYSA-N
XLogP-0.68
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136781041) is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CCO)CC2CCCN2)nc[nH]1.
What is the InChIKey of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QSHNJDDRAQLIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-5-4-15(7-9-2-1-3-12-9)10-6-11(17)14-8-13-10/h6,8-9,12,16H,1-5,7H2,(H,13,14,17).
What are the key properties of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136781041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).