N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine

C25H34N6O3 — CID 143450308

IUPACN-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc2c(c1)/C(=N/Nc1cc(N3CCCCC3)nc(OCCN3CCOCC3)n1)CCO2
InChIInChI=1S/C25H34N6O3/c1-19-5-6-22-20(17-19)21(7-13-33-22)28-29-23-18-24(31-8-3-2-4-9-31)27-25(26-23)34-16-12-30-10-14-32-15-11-30/h5-6,17-18H,2-4,7-16H2,1H3,(H,26,27,29)/b28-21+
InChIKeyOMFHGLVSNLZREI-SGWCAAJKSA-N
MW466.59 g/mol
LogP3.09
Rot. Bonds7

About N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine

N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 143450308) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID143450308
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC NameN-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCc1ccc2c(c1)/C(=N/Nc1cc(N3CCCCC3)nc(OCCN3CCOCC3)n1)CCO2
InChIInChI=1S/C25H34N6O3/c1-19-5-6-22-20(17-19)21(7-13-33-22)28-29-23-18-24(31-8-3-2-4-9-31)27-25(26-23)34-16-12-30-10-14-32-15-11-30/h5-6,17-18H,2-4,7-16H2,1H3,(H,26,27,29)/b28-21+
InChIKeyOMFHGLVSNLZREI-SGWCAAJKSA-N
XLogP3.09
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
(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-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
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
ethane;2-(2-morpholin-4-ylethoxy)-N-[(E)-[(2S)-2-pentylcyclohexylidene]amino]-6-piperidin-1-ylpyrimidin-4-amine
CID 143341665
6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane
CID 143340754
(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
ethane;6-N-[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333391
1-(2H-chromen-4-yl)-2-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazine
CID 91071322
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine (CID 143450308) is N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine is Cc1ccc2c(c1)/C(=N/Nc1cc(N3CCCCC3)nc(OCCN3CCOCC3)n1)CCO2.
What is the InChIKey of N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is OMFHGLVSNLZREI-SGWCAAJKSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-19-5-6-22-20(17-19)21(7-13-33-22)28-29-23-18-24(31-8-3-2-4-9-31)27-25(26-23)34-16-12-30-10-14-32-15-11-30/h5-6,17-18H,2-4,7-16H2,1H3,(H,26,27,29)/b28-21+.
What are the key properties of N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine?
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 466.59 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 143450308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).