5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine

C21H23N7O2 — CID 59198376

IUPAC5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOc4ccccc43)n2)cn1
InChIInChI=1S/C21H23N7O2/c1-22-20-23-13-15(14-24-20)16-12-19(27-6-9-29-10-7-27)26-21(25-16)28-8-11-30-18-5-3-2-4-17(18)28/h2-5,12-14H,6-11H2,1H3,(H,22,23,24)
InChIKeyIWGNKCRISSCOPW-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.34
Rot. Bonds4

About 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine

5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 59198376) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID59198376
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOc4ccccc43)n2)cn1
InChIInChI=1S/C21H23N7O2/c1-22-20-23-13-15(14-24-20)16-12-19(27-6-9-29-10-7-27)26-21(25-16)28-8-11-30-18-5-3-2-4-17(18)28/h2-5,12-14H,6-11H2,1H3,(H,22,23,24)
InChIKeyIWGNKCRISSCOPW-UHFFFAOYSA-N
XLogP2.34
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine with MolForge

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Related Compounds

1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
CID 59198406
[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-2-pyridinyl]urea
CID 145053350
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)pyrimidin-2-amine
CID 146173263
N-methyl-5-(3-methyl-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 170120856
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
1-[5-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107380756
N-methyl-4-morpholin-4-yl-N,6-diphenylpyrimidin-2-amine
CID 112935415
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine (CID 59198376) is 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine is CNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOc4ccccc43)n2)cn1.
What is the InChIKey of 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is IWGNKCRISSCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-22-20-23-13-15(14-24-20)16-12-19(27-6-9-29-10-7-27)26-21(25-16)28-8-11-30-18-5-3-2-4-17(18)28/h2-5,12-14H,6-11H2,1H3,(H,22,23,24).
What are the key properties of 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine?
5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 405.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 59198376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).