N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine

C27H30N6O2 — CID 58060102

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
SMILESCc1[nH]c2ccc(C/N=C/c3nc(OCCc4ccccn4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C27H30N6O2/c1-19-20(2)30-24-7-6-21(15-23(19)24)17-28-18-25-31-26(33-10-13-34-14-11-33)16-27(32-25)35-12-8-22-5-3-4-9-29-22/h3-7,9,15-16,18,30H,8,10-14,17H2,1-2H3/b28-18+
InChIKeyKXIZOBNYTRHBPA-MTDXEUNCSA-N
MW470.58 g/mol
LogP4.05
Rot. Bonds8

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine (PubChem CID 58060102) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
PubChem CID58060102
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
SMILESCc1[nH]c2ccc(C/N=C/c3nc(OCCc4ccccn4)cc(N4CCOCC4)n3)cc2c1C
InChIInChI=1S/C27H30N6O2/c1-19-20(2)30-24-7-6-21(15-23(19)24)17-28-18-25-31-26(33-10-13-34-14-11-33)16-27(32-25)35-12-8-22-5-3-4-9-29-22/h3-7,9,15-16,18,30H,8,10-14,17H2,1-2H3/b28-18+
InChIKeyKXIZOBNYTRHBPA-MTDXEUNCSA-N
XLogP4.05
TPSA88.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine
CID 58060385
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
3-[2-[2-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-1,3-oxazolidin-2-one;3-[2-[[4-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-1,3-oxazolidin-2-one;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methanimine
CID 157221648
methanol;N-methyl-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-amine
CID 143450374
4-[4-(2-pyridin-2-ylethoxy)-6-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-2-pyridinyl]morpholine
CID 58060121
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
CID 58060148
4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
CID 11235876
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
2-[[6-[[(2,3-dimethyl-1H-indol-5-yl)diazenyl]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]-N-methylethanamine
CID 90727053

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine (CID 58060102) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine is Cc1[nH]c2ccc(C/N=C/c3nc(OCCc4ccccn4)cc(N4CCOCC4)n3)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
The InChIKey is KXIZOBNYTRHBPA-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-19-20(2)30-24-7-6-21(15-23(19)24)17-28-18-25-31-26(33-10-13-34-14-11-33)16-27(32-25)35-12-8-22-5-3-4-9-29-22/h3-7,9,15-16,18,30H,8,10-14,17H2,1-2H3/b28-18+.
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine has a molecular weight of 470.58 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine is sourced from PubChem (CID 58060102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).