[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide

C20H25N9O — CID 88883428

IUPAC[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide
SMILESCc1nc(N)nc(N2CCN(/C(=N/C#N)N3CCOCC3)CC2)c1-c1cccnc1
InChIInChI=1S/C20H25N9O/c1-15-17(16-3-2-4-23-13-16)18(26-19(22)25-15)27-5-7-28(8-6-27)20(24-14-21)29-9-11-30-12-10-29/h2-4,13H,5-12H2,1H3,(H2,22,25,26)/b24-20-
InChIKeyRGXYUBNSNGJSSS-GFMRDNFCSA-N
MW407.48 g/mol
LogP0.72
Rot. Bonds2

About [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide

[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide (PubChem CID 88883428) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide.

Molecular Properties

Compound Name[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide
PubChem CID88883428
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide
SMILESCc1nc(N)nc(N2CCN(/C(=N/C#N)N3CCOCC3)CC2)c1-c1cccnc1
InChIInChI=1S/C20H25N9O/c1-15-17(16-3-2-4-23-13-16)18(26-19(22)25-15)27-5-7-28(8-6-27)20(24-14-21)29-9-11-30-12-10-29/h2-4,13H,5-12H2,1H3,(H2,22,25,26)/b24-20-
InChIKeyRGXYUBNSNGJSSS-GFMRDNFCSA-N
XLogP0.72
TPSA119.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide 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

[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-cyclopentylpiperazin-1-yl)methylidene]cyanamide
CID 88883426
ethyl 4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 70671638
[4-[2-amino-5-(3-hydroxyphenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 70671595
[4-[2-amino-6-methyl-5-(2-pyridin-3-ylethynyl)pyrimidin-4-yl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 58513400
[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 70671721
ethyl 4-methyl-6-morpholin-4-yl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881750
2,3-dimethyl-5-morpholin-4-yl-6-pyridin-3-ylpyridine-4-carboxamide
CID 118065512
4-(cyclohexen-1-yl)-6-methyl-5-pyridin-3-ylpyrimidin-2-amine
CID 70671742
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
[4-(3-amino-6-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 82331752
ethyl 4-(2-pyridin-3-ylquinazolin-4-yl)piperazine-1-carboxylate
CID 4880874
[3-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 68777874

Frequently Asked Questions

What is the IUPAC name of [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide?
The IUPAC name of [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide (CID 88883428) is [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide.
What is the SMILES notation for [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide?
The canonical SMILES for [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide is Cc1nc(N)nc(N2CCN(/C(=N/C#N)N3CCOCC3)CC2)c1-c1cccnc1.
What is the InChIKey of [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide?
The InChIKey is RGXYUBNSNGJSSS-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H25N9O/c1-15-17(16-3-2-4-23-13-16)18(26-19(22)25-15)27-5-7-28(8-6-27)20(24-14-21)29-9-11-30-12-10-29/h2-4,13H,5-12H2,1H3,(H2,22,25,26)/b24-20-.
What are the key properties of [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide?
[[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide has a molecular weight of 407.48 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(2-amino-6-methyl-5-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-morpholin-4-ylmethylidene]cyanamide is sourced from PubChem (CID 88883428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).