3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline

C19H25N5O2 — CID 90408360

IUPAC3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O2/c1-14-2-3-15(20)12-16(14)17-13-18(23-4-8-25-9-5-23)22-19(21-17)24-6-10-26-11-7-24/h2-3,12-13H,4-11,20H2,1H3
InChIKeyDGBTWCSCDCRJOD-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.71
Rot. Bonds3

About 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline

3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline (PubChem CID 90408360) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
PubChem CID90408360
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline
SMILESCc1ccc(N)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H25N5O2/c1-14-2-3-15(20)12-16(14)17-13-18(23-4-8-25-9-5-23)22-19(21-17)24-6-10-26-11-7-24/h2-3,12-13H,4-11,20H2,1H3
InChIKeyDGBTWCSCDCRJOD-UHFFFAOYSA-N
XLogP1.71
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methyl-3-pyridinyl)-6-morpholin-4-ylpyrimidin-2-yl]morpholine
CID 174958810
4-methyl-3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)aniline
CID 176803233
3-methyl-4-morpholin-4-ylaniline
CID 10607787
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
1-[4-[5-(3,3-dimethylbutylamino)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-2-yl]azetidin-3-ol;formamide
CID 168929179
4-(difluoromethyl)-3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)pyridin-2-amine
CID 172825051
4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]aniline
CID 90456808
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methylpyridin-3-amine
CID 168929038
N-[4-methyl-5-(6-morpholin-4-yl-2-piperidin-1-ylpyrimidin-4-yl)-2-pyridinyl]propanamide
CID 118565656
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-6-(trifluoromethyl)-2-pyridinyl]urea
CID 141438349

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline?
The IUPAC name of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline (CID 90408360) is 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline.
What is the SMILES notation for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline?
The canonical SMILES for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline is Cc1ccc(N)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline?
The InChIKey is DGBTWCSCDCRJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-2-3-15(20)12-16(14)17-13-18(23-4-8-25-9-5-23)22-19(21-17)24-6-10-26-11-7-24/h2-3,12-13H,4-11,20H2,1H3.
What are the key properties of 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline?
3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline has a molecular weight of 355.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylaniline is sourced from PubChem (CID 90408360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).