1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine

C23H30N6O4 — CID 91071322

IUPAC1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESC1=C(NNc2cc(N3CCOCC3)nc(OCCN3CCOCC3)n2)c2ccccc2OC1
InChIInChI=1S/C23H30N6O4/c1-2-4-20-18(3-1)19(5-11-32-20)26-27-21-17-22(29-9-14-31-15-10-29)25-23(24-21)33-16-8-28-6-12-30-13-7-28/h1-5,17,26H,6-16H2,(H,24,25,27)
InChIKeyFYSDCUBSAHACCX-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.37
Rot. Bonds8

About 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine

1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine (PubChem CID 91071322) has the molecular formula C23H30N6O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
PubChem CID91071322
Molecular FormulaC23H30N6O4
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
SMILESC1=C(NNc2cc(N3CCOCC3)nc(OCCN3CCOCC3)n2)c2ccccc2OC1
InChIInChI=1S/C23H30N6O4/c1-2-4-20-18(3-1)19(5-11-32-20)26-27-21-17-22(29-9-14-31-15-10-29)25-23(24-21)33-16-8-28-6-12-30-13-7-28/h1-5,17,26H,6-16H2,(H,24,25,27)
InChIKeyFYSDCUBSAHACCX-UHFFFAOYSA-N
XLogP1.37
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
N-(6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino)-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 76663245
1-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59258756
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
[6-morpholin-4-yl-2-[2-(1-oxidopyridin-1-ium-2-yl)ethoxy]pyrimidin-4-yl]hydrazine
CID 22288354
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine (CID 91071322) is 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine is C1=C(NNc2cc(N3CCOCC3)nc(OCCN3CCOCC3)n2)c2ccccc2OC1.
What is the InChIKey of 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is FYSDCUBSAHACCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O4/c1-2-4-20-18(3-1)19(5-11-32-20)26-27-21-17-22(29-9-14-31-15-10-29)25-23(24-21)33-16-8-28-6-12-30-13-7-28/h1-5,17,26H,6-16H2,(H,24,25,27).
What are the key properties of 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine?
1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 454.53 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 91071322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).