4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

C10H14N6O2 — CID 80850978

IUPAC4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCNc1cc(N2CC(=O)NC(=O)C2C)nc(N)n1
InChIInChI=1S/C10H14N6O2/c1-5-9(18)15-8(17)4-16(5)7-3-6(12-2)13-10(11)14-7/h3,5H,4H2,1-2H3,(H,15,17,18)(H3,11,12,13,14)
InChIKeyPGLQKQRZXNWJIS-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.05
Rot. Bonds2

About 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione

4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (PubChem CID 80850978) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
PubChem CID80850978
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione
SMILESCNc1cc(N2CC(=O)NC(=O)C2C)nc(N)n1
InChIInChI=1S/C10H14N6O2/c1-5-9(18)15-8(17)4-16(5)7-3-6(12-2)13-10(11)14-7/h3,5H,4H2,1-2H3,(H,15,17,18)(H3,11,12,13,14)
InChIKeyPGLQKQRZXNWJIS-UHFFFAOYSA-N
XLogP-1.05
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione (CID 80850978) is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is CNc1cc(N2CC(=O)NC(=O)C2C)nc(N)n1.
What is the InChIKey of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
The InChIKey is PGLQKQRZXNWJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-5-9(18)15-8(17)4-16(5)7-3-6(12-2)13-10(11)14-7/h3,5H,4H2,1-2H3,(H,15,17,18)(H3,11,12,13,14).
What are the key properties of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione?
4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione has a molecular weight of 250.26 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 80850978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).