6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine

C19H23N5O — CID 110271900

IUPAC6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(C2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-13-22-17(10-19(20-2)23-13)18-12-24(7-8-25-18)11-14-3-4-16-15(9-14)5-6-21-16/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3,(H,20,22,23)
InChIKeyFSSXFGXEBFRINZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.88
Rot. Bonds4

About 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine

6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 110271900) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine
PubChem CID110271900
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(C2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-13-22-17(10-19(20-2)23-13)18-12-24(7-8-25-18)11-14-3-4-16-15(9-14)5-6-21-16/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3,(H,20,22,23)
InChIKeyFSSXFGXEBFRINZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-indol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 155983471
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 124953952
6-(4-cyclopentylmorpholin-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 110271821
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847567
2-methyl-4-[(2S)-4-(quinolin-6-ylmethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168485
(2R)-2-(2,6-dimethylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 125024565
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
(2S)-2-(2-methylpyrimidin-4-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 124990207
7-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 127252083

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine (CID 110271900) is 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine is CNc1cc(C2CN(Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1.
What is the InChIKey of 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is FSSXFGXEBFRINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-22-17(10-19(20-2)23-13)18-12-24(7-8-25-18)11-14-3-4-16-15(9-14)5-6-21-16/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine?
6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-indol-5-ylmethyl)morpholin-2-yl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 110271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).