4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine

C25H29N5O2 — CID 163929710

IUPAC4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine
SMILESCc1cc2cc(OC3=NC(Nc4cccc(CN5CCOCC5)c4)=NC(C)C3)ccc2[nH]1
InChIInChI=1S/C25H29N5O2/c1-17-12-20-15-22(6-7-23(20)26-17)32-24-13-18(2)27-25(29-24)28-21-5-3-4-19(14-21)16-30-8-10-31-11-9-30/h3-7,12,14-15,18,26H,8-11,13,16H2,1-2H3,(H,27,28)
InChIKeyRHQUXSWHBGUDMN-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.35
Rot. Bonds4

About 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine

4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine (PubChem CID 163929710) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine
PubChem CID163929710
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine
SMILESCc1cc2cc(OC3=NC(Nc4cccc(CN5CCOCC5)c4)=NC(C)C3)ccc2[nH]1
InChIInChI=1S/C25H29N5O2/c1-17-12-20-15-22(6-7-23(20)26-17)32-24-13-18(2)27-25(29-24)28-21-5-3-4-19(14-21)16-30-8-10-31-11-9-30/h3-7,12,14-15,18,26H,8-11,13,16H2,1-2H3,(H,27,28)
InChIKeyRHQUXSWHBGUDMN-UHFFFAOYSA-N
XLogP4.35
TPSA74.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine
CID 142686536
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrimidin-2-amine
CID 59823290
2-(3-tert-butylphenoxy)-N-[3-(morpholin-4-ylmethyl)phenyl]propanamide
CID 60585839
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
N-tert-butyl-3-[[5-methyl-2-[4-(morpholin-4-ylmethyl)anilino]-4,5-dihydropyrimidin-6-yl]amino]benzenesulfonamide
CID 163870349
4-methoxy-1-[(2-methyl-1H-indol-5-yl)methyl]piperidin-4-ol
CID 143658503
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
2-(3-methylpyrazol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 19516890
5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756
6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 159000817
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040158

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine (CID 163929710) is 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine is Cc1cc2cc(OC3=NC(Nc4cccc(CN5CCOCC5)c4)=NC(C)C3)ccc2[nH]1.
What is the InChIKey of 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine?
The InChIKey is RHQUXSWHBGUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-17-12-20-15-22(6-7-23(20)26-17)32-24-13-18(2)27-25(29-24)28-21-5-3-4-19(14-21)16-30-8-10-31-11-9-30/h3-7,12,14-15,18,26H,8-11,13,16H2,1-2H3,(H,27,28).
What are the key properties of 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine?
4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine has a molecular weight of 431.54 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(2-methyl-1H-indol-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 163929710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).