2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one

C13H16N4O2 — CID 169101443

IUPAC2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CNCCO)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H16N4O2/c18-7-6-14-9-11-8-12(19)17-13(16-11)15-10-4-2-1-3-5-10/h1-5,8,14,18H,6-7,9H2,(H2,15,16,17,19)
InChIKeyQSNQKHRIXJCBNT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.60
Rot. Bonds6

About 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one

2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 169101443) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
PubChem CID169101443
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CNCCO)nc(Nc2ccccc2)[nH]1
InChIInChI=1S/C13H16N4O2/c18-7-6-14-9-11-8-12(19)17-13(16-11)15-10-4-2-1-3-5-10/h1-5,8,14,18H,6-7,9H2,(H2,15,16,17,19)
InChIKeyQSNQKHRIXJCBNT-UHFFFAOYSA-N
XLogP0.60
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one (CID 169101443) is 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one is O=c1cc(CNCCO)nc(Nc2ccccc2)[nH]1.
What is the InChIKey of 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is QSNQKHRIXJCBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-7-6-14-9-11-8-12(19)17-13(16-11)15-10-4-2-1-3-5-10/h1-5,8,14,18H,6-7,9H2,(H2,15,16,17,19).
What are the key properties of 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one?
2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169101443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).