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

C6H10N4O2 — CID 4133025

IUPAC6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h8H,7H2,1-2H3,(H,9,11,12)
InChIKeyVCMTXXSJNFBMBV-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.30
Rot. Bonds1

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

6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione (PubChem CID 4133025) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
PubChem CID4133025
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione
SMILESCNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h8H,7H2,1-2H3,(H,9,11,12)
InChIKeyVCMTXXSJNFBMBV-UHFFFAOYSA-N
XLogP-1.30
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione (CID 4133025) is 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione is CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione?
The InChIKey is VCMTXXSJNFBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-8-3-4(7)10(2)6(12)9-5(3)11/h8H,7H2,1-2H3,(H,9,11,12).
What are the key properties of 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione?
6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-5-(methylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 4133025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).