1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

C9H13N5O — CID 54464751

IUPAC1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCNc1ncc2c(n1)N(C)C(=O)N(C)C2
InChIInChI=1S/C9H13N5O/c1-10-8-11-4-6-5-13(2)9(15)14(3)7(6)12-8/h4H,5H2,1-3H3,(H,10,11,12)
InChIKeyXEBAUGOMTNDUKB-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.52
Rot. Bonds1

About 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one

1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (PubChem CID 54464751) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
PubChem CID54464751
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one
SMILESCNc1ncc2c(n1)N(C)C(=O)N(C)C2
InChIInChI=1S/C9H13N5O/c1-10-8-11-4-6-5-13(2)9(15)14(3)7(6)12-8/h4H,5H2,1-3H3,(H,10,11,12)
InChIKeyXEBAUGOMTNDUKB-UHFFFAOYSA-N
XLogP0.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide
CID 597195
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
7-Methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
CID 222693
N,N-dimethyl-5-((methylamino)methyl)pyrimidin-2-amine
CID 62756582
1,7-Dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 46503573
3,4-dihydro-1H-pyrimido[4,5-d]pyrimidine-2-thione
CID 4311777
5,8-Dihydropyrimido[4,5-d]pyrimidine
CID 5041401
Pyrimido[4,5-d]pyrimidin-2(1H)-one
CID 11240565
1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 13194070
3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1h)-one
CID 18425406
Dihydropyrimido[4,5-d]pyrimidine
CID 67223442

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The IUPAC name of 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one (CID 54464751) is 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one.
What is the SMILES notation for 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The canonical SMILES for 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is CNc1ncc2c(n1)N(C)C(=O)N(C)C2.
What is the InChIKey of 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
The InChIKey is XEBAUGOMTNDUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-10-8-11-4-6-5-13(2)9(15)14(3)7(6)12-8/h4H,5H2,1-3H3,(H,10,11,12).
What are the key properties of 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one?
1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one has a molecular weight of 207.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(methylamino)-4H-pyrimido[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 54464751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).