N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine

C21H26N8 — CID 134251253

IUPACN-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine
SMILESC=N/C(=C\c1c(C)nc(C)n1C(C)C)Nc1ccnc(-c2ccc(NC)nc2)n1
InChIInChI=1S/C21H26N8/c1-13(2)29-15(4)26-14(3)17(29)11-20(23-6)27-19-9-10-24-21(28-19)16-7-8-18(22-5)25-12-16/h7-13H,6H2,1-5H3,(H,22,25)(H,24,27,28)/b20-11+
InChIKeyORYGDFVDOLLQHW-RGVLZGJSSA-N
MW390.50 g/mol
LogP4.09
Rot. Bonds7

About N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine

N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 134251253) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine
PubChem CID134251253
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC NameN-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine
SMILESC=N/C(=C\c1c(C)nc(C)n1C(C)C)Nc1ccnc(-c2ccc(NC)nc2)n1
InChIInChI=1S/C21H26N8/c1-13(2)29-15(4)26-14(3)17(29)11-20(23-6)27-19-9-10-24-21(28-19)16-7-8-18(22-5)25-12-16/h7-13H,6H2,1-5H3,(H,22,25)(H,24,27,28)/b20-11+
InChIKeyORYGDFVDOLLQHW-RGVLZGJSSA-N
XLogP4.09
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine 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 N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine (CID 134251253) is N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine is C=N/C(=C\c1c(C)nc(C)n1C(C)C)Nc1ccnc(-c2ccc(NC)nc2)n1.
What is the InChIKey of N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is ORYGDFVDOLLQHW-RGVLZGJSSA-N. The full InChI is InChI=1S/C21H26N8/c1-13(2)29-15(4)26-14(3)17(29)11-20(23-6)27-19-9-10-24-21(28-19)16-7-8-18(22-5)25-12-16/h7-13H,6H2,1-5H3,(H,22,25)(H,24,27,28)/b20-11+.
What are the key properties of N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine?
N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 390.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(2,5-dimethyl-3-propan-2-ylimidazol-4-yl)-1-(methylideneamino)ethenyl]-2-[6-(methylamino)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 134251253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).