6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione

C10H12N6O2 — CID 114111521

IUPAC6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2ccncn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N6O2/c1-16-8(11)7(9(17)15-10(16)18)13-4-6-2-3-12-5-14-6/h2-3,5,13H,4,11H2,1H3,(H,15,17,18)
InChIKeyVCUJUZDDMKIXDB-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.94
Rot. Bonds3

About 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 114111521) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
PubChem CID114111521
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCn1c(N)c(NCc2ccncn2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N6O2/c1-16-8(11)7(9(17)15-10(16)18)13-4-6-2-3-12-5-14-6/h2-3,5,13H,4,11H2,1H3,(H,15,17,18)
InChIKeyVCUJUZDDMKIXDB-UHFFFAOYSA-N
XLogP-0.94
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-methyl-5-(1,2-oxazol-5-ylmethylamino)pyrimidine-2,4-dione
CID 106419112
6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 82739473
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 60710951
6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
CID 113222252
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174
6-amino-5-(2-methoxypropylamino)-1-methylpyrimidine-2,4-dione
CID 102699143
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
CID 4133025
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
CID 60667095

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione (CID 114111521) is 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione is Cn1c(N)c(NCc2ccncn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is VCUJUZDDMKIXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-16-8(11)7(9(17)15-10(16)18)13-4-6-2-3-12-5-14-6/h2-3,5,13H,4,11H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 248.25 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 114111521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).