2-amino-4-(benzylamino)-1H-pyrimidin-6-one

C11H12N4O — CID 135408603

IUPAC2-amino-4-(benzylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15,16)
InChIKeyAMUUMZBZKZBKPH-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-4-(benzylamino)-1H-pyrimidin-6-one

2-amino-4-(benzylamino)-1H-pyrimidin-6-one (PubChem CID 135408603) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-4-(benzylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(benzylamino)-1H-pyrimidin-6-one
PubChem CID135408603
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-4-(benzylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H12N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15,16)
InChIKeyAMUUMZBZKZBKPH-UHFFFAOYSA-N
XLogP0.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(benzylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(benzylamino)-1H-pyrimidin-6-one (CID 135408603) is 2-amino-4-(benzylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(benzylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(benzylamino)-1H-pyrimidin-6-one is Nc1nc(NCc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(benzylamino)-1H-pyrimidin-6-one?
The InChIKey is AMUUMZBZKZBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-11-14-9(6-10(16)15-11)13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H4,12,13,14,15,16).
What are the key properties of 2-amino-4-(benzylamino)-1H-pyrimidin-6-one?
2-amino-4-(benzylamino)-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(benzylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).