(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide

C21H29N7O3 — CID 170573029

IUPAC(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide
SMILESN/C=C\C=C(/N)C(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1
InChIInChI=1S/C21H29N7O3/c22-7-1-2-17(23)20(29)25-15-3-5-16(6-4-15)31-21-26-19(27-10-12-30-13-11-27)14-18-24-8-9-28(18)21/h1-2,7-9,14-16H,3-6,10-13,22-23H2,(H,25,29)/b7-1-,17-2-
InChIKeyJJRINTOOYKZPQZ-JKJXGFIZSA-N
MW427.51 g/mol
LogP0.69
Rot. Bonds6

About (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide

(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide (PubChem CID 170573029) has the molecular formula C21H29N7O3 and a molecular weight of 427.51 g/mol. Its IUPAC name is (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide
PubChem CID170573029
Molecular FormulaC21H29N7O3
Molecular Weight427.51 g/mol
Exact Mass427.23
IUPAC Name(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide
SMILESN/C=C\C=C(/N)C(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1
InChIInChI=1S/C21H29N7O3/c22-7-1-2-17(23)20(29)25-15-3-5-16(6-4-15)31-21-26-19(27-10-12-30-13-11-27)14-18-24-8-9-28(18)21/h1-2,7-9,14-16H,3-6,10-13,22-23H2,(H,25,29)/b7-1-,17-2-
InChIKeyJJRINTOOYKZPQZ-JKJXGFIZSA-N
XLogP0.69
TPSA133.03 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide with MolForge

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Related Compounds

N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidin-2-amine
CID 170394462
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrazin-2-amine
CID 170394465
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-2-carboxamide
CID 170394581
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-5-carboxamide
CID 170394583
9-(4-methoxycyclohexyl)-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71061783
9-(oxan-3-yl)-2-[(2-oxo-1H-pyridin-3-yl)amino]-7H-purin-8-one
CID 71618698
N-(4-ethoxycyclohexyl)-4-imidazol-1-ylpyrimidine-2-carboxamide
CID 168112582
N-methyl-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]azirin-1-amine
CID 170395743
tert-butyl N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]carbamate
CID 170573024
4-(7-Morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexan-1-amine
CID 170573046

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide (CID 170573029) is (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide is N/C=C\C=C(/N)C(=O)NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1.
What is the InChIKey of (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide?
The InChIKey is JJRINTOOYKZPQZ-JKJXGFIZSA-N. The full InChI is InChI=1S/C21H29N7O3/c22-7-1-2-17(23)20(29)25-15-3-5-16(6-4-15)31-21-26-19(27-10-12-30-13-11-27)14-18-24-8-9-28(18)21/h1-2,7-9,14-16H,3-6,10-13,22-23H2,(H,25,29)/b7-1-,17-2-.
What are the key properties of (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide?
(2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide has a molecular weight of 427.51 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2,5-diamino-N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]penta-2,4-dienamide is sourced from PubChem (CID 170573029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).