5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

C14H16N8O — CID 42610558

IUPAC5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCOC(CN)C3)ncn2)cn1
InChIInChI=1S/C14H16N8O/c15-4-10-6-18-13(7-17-10)21-12-3-14(20-9-19-12)22-1-2-23-11(5-16)8-22/h3,6-7,9,11H,1-2,5,8,16H2,(H,18,19,20,21)
InChIKeySSFCEYILWPVDRN-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.05
Rot. Bonds4

About 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile

5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (PubChem CID 42610558) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
PubChem CID42610558
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N3CCOC(CN)C3)ncn2)cn1
InChIInChI=1S/C14H16N8O/c15-4-10-6-18-13(7-17-10)21-12-3-14(20-9-19-12)22-1-2-23-11(5-16)8-22/h3,6-7,9,11H,1-2,5,8,16H2,(H,18,19,20,21)
InChIKeySSFCEYILWPVDRN-UHFFFAOYSA-N
XLogP0.05
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile (CID 42610558) is 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(N3CCOC(CN)C3)ncn2)cn1.
What is the InChIKey of 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SSFCEYILWPVDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c15-4-10-6-18-13(7-17-10)21-12-3-14(20-9-19-12)22-1-2-23-11(5-16)8-22/h3,6-7,9,11H,1-2,5,8,16H2,(H,18,19,20,21).
What are the key properties of 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile?
5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 312.34 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[2-(aminomethyl)morpholin-4-yl]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 42610558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).