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

C25H35N5O2 — CID 58060245

IUPAC6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESCCN(CC)c1cc(Cc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C25H35N5O2/c1-5-30(6-2)24-17-21(15-20-7-8-23-22(16-20)18(3)19(4)26-23)27-25(28-24)32-14-11-29-9-12-31-13-10-29/h7-8,16-17,26H,5-6,9-15H2,1-4H3
InChIKeyBWRQKIWSPHOHSH-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.72
Rot. Bonds9

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

6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (PubChem CID 58060245) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
PubChem CID58060245
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESCCN(CC)c1cc(Cc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C25H35N5O2/c1-5-30(6-2)24-17-21(15-20-7-8-23-22(16-20)18(3)19(4)26-23)27-25(28-24)32-14-11-29-9-12-31-13-10-29/h7-8,16-17,26H,5-6,9-15H2,1-4H3
InChIKeyBWRQKIWSPHOHSH-UHFFFAOYSA-N
XLogP3.72
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
CID 89163595
4-[2-[[2-[(2,3-dimethyl-1H-indol-5-yl)methyl]-6-morpholin-4-yl-4-pyridinyl]oxy]ethyl]-1-methylpiperidin-2-one
CID 58060129
4-N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-morpholin-4-ylethoxy)-2-N-[(Z)-prop-1-enyl]pyrimidine-2,4-diamine
CID 71193496
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 91298050
N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine
CID 167484254
2-(2,3-dimethyl-1H-indol-5-yl)-1-(4,6-dimorpholin-4-yl-2-pyridinyl)ethanone
CID 58060148
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
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
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
CID 143450356
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The IUPAC name of 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (CID 58060245) is 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is CCN(CC)c1cc(Cc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The InChIKey is BWRQKIWSPHOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-5-30(6-2)24-17-21(15-20-7-8-23-22(16-20)18(3)19(4)26-23)27-25(28-24)32-14-11-29-9-12-31-13-10-29/h7-8,16-17,26H,5-6,9-15H2,1-4H3.
What are the key properties of 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine has a molecular weight of 437.59 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 58060245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).