3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine

C10H12N8O2 — CID 159740059

IUPAC3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
SMILESCn1c(=O)cc[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6.C5H6N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;1-7-4(8)2-3-6-5(7)9/h1H,(H5,6,7,8,9,10,11);2-3H,1H3,(H,6,9)
InChIKeyNCINDHXILNHUHW-UHFFFAOYSA-N
MW276.26 g/mol
LogP-1.41
Rot. Bonds

About 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine

3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine (PubChem CID 159740059) has the molecular formula C10H12N8O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine.

Molecular Properties

Compound Name3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
PubChem CID159740059
Molecular FormulaC10H12N8O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine
SMILESCn1c(=O)cc[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C5H6N6.C5H6N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;1-7-4(8)2-3-6-5(7)9/h1H,(H5,6,7,8,9,10,11);2-3H,1H3,(H,6,9)
InChIKeyNCINDHXILNHUHW-UHFFFAOYSA-N
XLogP-1.41
TPSA161.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

7H-purine-2,6-diamine;1H-pyrimidine-2,4-dione
CID 174663660
2-[2-(2-aminoethoxy)ethoxy]ethanamine;7H-purine-2,6-diamine
CID 175436087
2-tert-butyl-7H-purin-6-amine
CID 21493394
5-methyl-1H-pyrimidine-2,4-dione;5-methyl-2-sulfanylidene-1H-pyrimidin-4-one;7H-purine-2,6-diamine
CID 165091537
2-dimethylphosphoryl-7H-purin-6-amine
CID 170722670
2-ethyl-7H-purin-6-amine
CID 19795383
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
bis(2-methyl-7H-purin-6-amine);sulfuric acid
CID 118855862
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine?
The IUPAC name of 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine (CID 159740059) is 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine.
What is the SMILES notation for 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine?
The canonical SMILES for 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine is Cn1c(=O)cc[nH]c1=O.Nc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine?
The InChIKey is NCINDHXILNHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6.C5H6N2O2/c6-3-2-4(9-1-8-2)11-5(7)10-3;1-7-4(8)2-3-6-5(7)9/h1H,(H5,6,7,8,9,10,11);2-3H,1H3,(H,6,9).
What are the key properties of 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine?
3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine has a molecular weight of 276.26 g/mol, XLogP of -1.41, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrimidine-2,4-dione;7H-purine-2,6-diamine is sourced from PubChem (CID 159740059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).