4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile

C10H14N6O — CID 80850367

IUPAC4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCNc1cc(N2CCOC(C#N)C2)nc(N)n1
InChIInChI=1S/C10H14N6O/c1-13-8-4-9(15-10(12)14-8)16-2-3-17-7(5-11)6-16/h4,7H,2-3,6H2,1H3,(H3,12,13,14,15)
InChIKeyYLJOPZMBAFPKAX-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.17
Rot. Bonds2

About 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile

4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile (PubChem CID 80850367) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
PubChem CID80850367
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile
SMILESCNc1cc(N2CCOC(C#N)C2)nc(N)n1
InChIInChI=1S/C10H14N6O/c1-13-8-4-9(15-10(12)14-8)16-2-3-17-7(5-11)6-16/h4,7H,2-3,6H2,1H3,(H3,12,13,14,15)
InChIKeyYLJOPZMBAFPKAX-UHFFFAOYSA-N
XLogP-0.17
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile (CID 80850367) is 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile is CNc1cc(N2CCOC(C#N)C2)nc(N)n1.
What is the InChIKey of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
The InChIKey is YLJOPZMBAFPKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-13-8-4-9(15-10(12)14-8)16-2-3-17-7(5-11)6-16/h4,7H,2-3,6H2,1H3,(H3,12,13,14,15).
What are the key properties of 4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile?
4-[2-amino-6-(methylamino)pyrimidin-4-yl]morpholine-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 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]morpholine-2-carbonitrile is sourced from PubChem (CID 80850367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).