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

C7H12N4O2 — CID 135408994

IUPAC4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCO)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-11(2-3-12)7-9-5(8)4-6(13)10-7/h4,12H,2-3H2,1H3,(H3,8,9,10,13)
InChIKeyOHTCZUMRAMZRFE-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.22
Rot. Bonds3

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

4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 135408994) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID135408994
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCO)c1nc(N)cc(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-11(2-3-12)7-9-5(8)4-6(13)10-7/h4,12H,2-3H2,1H3,(H3,8,9,10,13)
InChIKeyOHTCZUMRAMZRFE-UHFFFAOYSA-N
XLogP-1.22
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one (CID 135408994) is 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCO)c1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is OHTCZUMRAMZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11(2-3-12)7-9-5(8)4-6(13)10-7/h4,12H,2-3H2,1H3,(H3,8,9,10,13).
What are the key properties of 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one?
4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-hydroxyethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135408994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).