5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

C16H14N6 — CID 139437861

IUPAC5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C3=C(N)CCC=C3)cn2)cn1
InChIInChI=1S/C16H14N6/c17-7-12-5-6-13(10-19-12)22-16-20-8-11(9-21-16)14-3-1-2-4-15(14)18/h1,3,5-6,8-10H,2,4,18H2,(H,20,21,22)
InChIKeyBRUKIYISMSJGDT-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.51
Rot. Bonds3

About 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile

5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 139437861) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
PubChem CID139437861
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(Nc2ncc(C3=C(N)CCC=C3)cn2)cn1
InChIInChI=1S/C16H14N6/c17-7-12-5-6-13(10-19-12)22-16-20-8-11(9-21-16)14-3-1-2-4-15(14)18/h1,3,5-6,8-10H,2,4,18H2,(H,20,21,22)
InChIKeyBRUKIYISMSJGDT-UHFFFAOYSA-N
XLogP2.51
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-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

Related Compounds

5-[(5-bromopyrimidin-2-yl)amino]pyridine-2-carbonitrile
CID 134512316
5-[[4,6-bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;hydrochloride
CID 62707276
5-(3,4-dichloroanilino)pyridine-2-carbonitrile
CID 113320534
5-(5-amino-2-chloroanilino)pyridine-2-carbonitrile
CID 115490340
5-[(6-methoxy-3-pyridinyl)amino]pyridine-2-carbonitrile
CID 115487437
5-(2-bromoanilino)pyridine-2-carbonitrile
CID 115487447
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
5-(4-morpholin-4-ylanilino)pyridine-2-carbonitrile
CID 115487689
5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
CID 115490214
5-[[4-(3-aminopropoxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile
CID 150384872
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
CID 115487739

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile (CID 139437861) is 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is N#Cc1ccc(Nc2ncc(C3=C(N)CCC=C3)cn2)cn1.
What is the InChIKey of 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is BRUKIYISMSJGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-7-12-5-6-13(10-19-12)22-16-20-8-11(9-21-16)14-3-1-2-4-15(14)18/h1,3,5-6,8-10H,2,4,18H2,(H,20,21,22).
What are the key properties of 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile?
5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-aminocyclohexa-1,5-dien-1-yl)pyrimidin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 139437861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).