2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine

C23H29N5O2 — CID 89163595

IUPAC2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
SMILESC=C(C)c1cc(Nc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C23H29N5O2/c1-15(2)21-14-22(25-18-5-6-20-19(13-18)16(3)17(4)24-20)27-23(26-21)30-12-9-28-7-10-29-11-8-28/h5-6,13-14,24H,1,7-12H2,2-4H3,(H,25,26,27)
InChIKeyALPGNKCGAPJPSU-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.06
Rot. Bonds7

About 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine

2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine (PubChem CID 89163595) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
PubChem CID89163595
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine
SMILESC=C(C)c1cc(Nc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C23H29N5O2/c1-15(2)21-14-22(25-18-5-6-20-19(13-18)16(3)17(4)24-20)27-23(26-21)30-12-9-28-7-10-29-11-8-28/h5-6,13-14,24H,1,7-12H2,2-4H3,(H,25,26,27)
InChIKeyALPGNKCGAPJPSU-UHFFFAOYSA-N
XLogP4.06
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N,N-diethyl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58060245
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(2-piperazin-1-ylethoxy)pyrimidine-4-carboxamide
CID 59258559
2,3-dimethyl-N-[2-morpholin-4-yl-6-[2-(3,4,5-trimethoxyphenyl)ethoxy]-4-pyridinyl]-1H-indol-5-amine
CID 59218180
N-(2,3-dimethyl-1H-indol-5-yl)-2,6-dimorpholin-4-ylpyrimidine-4-carboxamide
CID 11697823
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(morpholin-4-ylmethyl)pyrimidine-4-carboxamide
CID 59258676
N-[(2,3-dimethyl-1H-indol-5-yl)sulfanyl]-2-morpholin-4-ylethanamine
CID 167484254
N-(2,3-dimethyl-1H-indol-5-yl)-6-(2-methylsulfonylethoxy)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258584
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-4-carboxamide
CID 59258549
N-(2,3-dimethyl-1H-indol-5-yl)-6-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258592

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine (CID 89163595) is 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine is C=C(C)c1cc(Nc2ccc3[nH]c(C)c(C)c3c2)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine?
The InChIKey is ALPGNKCGAPJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15(2)21-14-22(25-18-5-6-20-19(13-18)16(3)17(4)24-20)27-23(26-21)30-12-9-28-7-10-29-11-8-28/h5-6,13-14,24H,1,7-12H2,2-4H3,(H,25,26,27).
What are the key properties of 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine?
2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine has a molecular weight of 407.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(2-morpholin-4-ylethoxy)-6-prop-1-en-2-ylpyrimidin-4-yl]-1H-indol-5-amine is sourced from PubChem (CID 89163595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).