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

C12H20N4O2 — CID 136781038

IUPAC4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-9-14-11(7-12(18)15-9)16(5-6-17)8-10-3-2-4-13-10/h7,10,13,17H,2-6,8H2,1H3,(H,14,15,18)
InChIKeyRWEOLQVDRKWKCL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.37
Rot. Bonds5

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

4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136781038) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136781038
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-9-14-11(7-12(18)15-9)16(5-6-17)8-10-3-2-4-13-10/h7,10,13,17H,2-6,8H2,1H3,(H,14,15,18)
InChIKeyRWEOLQVDRKWKCL-UHFFFAOYSA-N
XLogP-0.37
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.37
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]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136781038) is 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(CCO)CC2CCCN2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RWEOLQVDRKWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-14-11(7-12(18)15-9)16(5-6-17)8-10-3-2-4-13-10/h7,10,13,17H,2-6,8H2,1H3,(H,14,15,18).
What are the key properties of 4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of -0.37, 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]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136781038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).