[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

C22H26N4O2 — CID 166858457

IUPAC[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NCc2cc(C3CC3)cc(C3CC3)c2)nc1)N1CCCOC1
InChIInChI=1S/C22H26N4O2/c27-21(26-6-1-7-28-14-26)20-12-24-22(25-13-20)23-11-15-8-18(16-2-3-16)10-19(9-15)17-4-5-17/h8-10,12-13,16-17H,1-7,11,14H2,(H,23,24,25)
InChIKeyOGXPBARJICIQIT-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.66
Rot. Bonds6

About [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone

[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (PubChem CID 166858457) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
PubChem CID166858457
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
SMILESO=C(c1cnc(NCc2cc(C3CC3)cc(C3CC3)c2)nc1)N1CCCOC1
InChIInChI=1S/C22H26N4O2/c27-21(26-6-1-7-28-14-26)20-12-24-22(25-13-20)23-11-15-8-18(16-2-3-16)10-19(9-15)17-4-5-17/h8-10,12-13,16-17H,1-7,11,14H2,(H,23,24,25)
InChIKeyOGXPBARJICIQIT-UHFFFAOYSA-N
XLogP3.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 154933111
1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 154938773
[2-[[3-(azetidin-1-yl)-5-propan-2-yloxyphenyl]methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858456
1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 152957032
[2-[[3-cyclopropyl-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]-(8-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
CID 151541072
[2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 154933185
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249928
morpholin-4-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252032
[2-[(6-chloro-4-prop-1-ynyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166884407
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
(2-chloropyrimidin-5-yl)-(1,3-oxazolidin-3-yl)methanone
CID 127006873
3-[1-[2-(ethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]benzoic acid
CID 72856458

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone (CID 166858457) is [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is O=C(c1cnc(NCc2cc(C3CC3)cc(C3CC3)c2)nc1)N1CCCOC1.
What is the InChIKey of [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
The InChIKey is OGXPBARJICIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(26-6-1-7-28-14-26)20-12-24-22(25-13-20)23-11-15-8-18(16-2-3-16)10-19(9-15)17-4-5-17/h8-10,12-13,16-17H,1-7,11,14H2,(H,23,24,25).
What are the key properties of [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone?
[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 166858457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).