4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one

C11H14N6O2 — CID 137199584

IUPAC4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCNc2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C11H14N6O2/c1-6-3-8(18)16-10(14-6)12-5-13-11-15-7(2)4-9(19)17-11/h3-4H,5H2,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyILIVFFHUCYIONY-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.05
Rot. Bonds4

About 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one

4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one (PubChem CID 137199584) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one
PubChem CID137199584
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NCNc2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C11H14N6O2/c1-6-3-8(18)16-10(14-6)12-5-13-11-15-7(2)4-9(19)17-11/h3-4H,5H2,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19)
InChIKeyILIVFFHUCYIONY-UHFFFAOYSA-N
XLogP-0.05
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one (CID 137199584) is 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NCNc2nc(C)cc(=O)[nH]2)n1.
What is the InChIKey of 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one?
The InChIKey is ILIVFFHUCYIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-6-3-8(18)16-10(14-6)12-5-13-11-15-7(2)4-9(19)17-11/h3-4H,5H2,1-2H3,(H2,12,14,16,18)(H2,13,15,17,19).
What are the key properties of 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one?
4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one has a molecular weight of 262.27 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137199584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).