5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine

C17H22N6O2 — CID 59198406

IUPAC5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(C3CCOCC3)n2)cn1
InChIInChI=1S/C17H22N6O2/c18-17-19-10-13(11-20-17)14-9-15(23-3-7-25-8-4-23)22-16(21-14)12-1-5-24-6-2-12/h9-12H,1-8H2,(H2,18,19,20)
InChIKeyCBZBMZRBUNTKCK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.25
Rot. Bonds3

About 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine

5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 59198406) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID59198406
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)nc(C3CCOCC3)n2)cn1
InChIInChI=1S/C17H22N6O2/c18-17-19-10-13(11-20-17)14-9-15(23-3-7-25-8-4-23)22-16(21-14)12-1-5-24-6-2-12/h9-12H,1-8H2,(H2,18,19,20)
InChIKeyCBZBMZRBUNTKCK-UHFFFAOYSA-N
XLogP1.25
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[6-morpholin-4-yl-4-[(3S)-oxolan-3-yl]sulfonyl-2-pyridinyl]pyrimidin-2-amine
CID 146173235
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)pyrimidin-2-amine
CID 146173263
4-(6-phenyl-2-piperidin-4-ylpyrimidin-4-yl)morpholine;dihydrochloride
CID 165432105
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 144988717
3-(difluoromethoxy)-5-[2-[(3R)-3-fluorocyclopentyl]-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]pyridin-2-amine
CID 127037511
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-cyclopropyl-6-(oxan-4-yl)pyrimidine
CID 155980365
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
5-(2-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine
CID 90067938
5-[4-(4-chloro-3-methylphenoxy)-6-morpholin-4-yl-2-pyridinyl]pyrimidin-2-amine
CID 157319144

Frequently Asked Questions

What is the IUPAC name of 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine (CID 59198406) is 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)nc(C3CCOCC3)n2)cn1.
What is the InChIKey of 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is CBZBMZRBUNTKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-17-19-10-13(11-20-17)14-9-15(23-3-7-25-8-4-23)22-16(21-14)12-1-5-24-6-2-12/h9-12H,1-8H2,(H2,18,19,20).
What are the key properties of 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine?
5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-morpholin-4-yl-2-(oxan-4-yl)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 59198406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).