3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C10H16N6O — CID 114165256

IUPAC3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCNc1cc(NC2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C10H16N6O/c1-12-7-5-8(15-10(11)14-7)13-6-3-4-16(2)9(6)17/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyVVDXYFFIAHMYIO-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.26
Rot. Bonds3

About 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 114165256) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID114165256
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCNc1cc(NC2CCN(C)C2=O)nc(N)n1
InChIInChI=1S/C10H16N6O/c1-12-7-5-8(15-10(11)14-7)13-6-3-4-16(2)9(6)17/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15)
InChIKeyVVDXYFFIAHMYIO-UHFFFAOYSA-N
XLogP-0.26
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 114165256) is 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CNc1cc(NC2CCN(C)C2=O)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is VVDXYFFIAHMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-12-7-5-8(15-10(11)14-7)13-6-3-4-16(2)9(6)17/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14,15).
What are the key properties of 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 236.28 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 114165256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).